Monomers

2-Methylidenebutanedioate;tributylstannanylium

Identifiers

IUPAC name
2-methylidenebutanedioate;tributylstannanylium
InchI
InChI=1S/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InchI Key
HCYQUDAPBSFLSL-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(=C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
Canonical SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C29H58O4Sn2
Heavy Atom Count
35
Molecular Weight
708.201
Exact Molecular Weight
710.2379
Valence Electrons
206
Radical Electrons
0
tPSA
80.26
MolLogP
7.1955
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 93 90  0  0  0  0  0  0  0  0999 V2000
    3.0760   -0.5101    0.0887 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.8221    0.0831    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070    1.2738    0.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.7676   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -0.0148   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961    0.1718   -1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    0.5077    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939    1.1556    1.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023    0.3266    2.2862 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8916    3.7140    0.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    3.0327   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943    2.1617    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991    1.4333   -1.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0354    0.2491   -0.3688 Sn  0  0  0  0  0  3  0  0  0  0  0  0
   -0.2257   -1.7723    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028   -2.6397   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004   -4.0707   -0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931   -4.2562    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418    1.2385   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051    0.1959    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136    0.9527    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4598    0.0487    0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086    5.0353    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530    4.1174   -0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    2.7258    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893    1.8280   -0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -0.1440   -0.7044 Sn  0  0  0  0  0  3  0  0  0  0  0  0
    2.0562   -0.3344   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2686   -1.7203    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070   -1.9243    0.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6595   -1.7659   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055   -1.7521   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -1.3610    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4053   -2.4587    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1565   -2.6252   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -1.0667   -1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393   -1.6389    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224    0.7190   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691   -0.2395   -2.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8823    4.1800    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9627    2.9981    1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2039    4.5289    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829    2.4037   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0346    3.8143   -1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5321    1.4014    0.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595    2.8032    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305    2.2292   -1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3628    0.8398   -1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -2.1344    0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471   -1.8708    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -2.2493   -1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2086   -2.6016   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -4.6510   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549   -4.5083   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5057   -4.0329    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2768   -5.3017    0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7421   -3.5860    0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722    1.6355   -1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675    2.0029    0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7505   -0.3087    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0493   -0.5602   -0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711    1.4526   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505    1.7486    1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2192    0.1298   -0.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8365    0.3491    1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -0.9998    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    5.9405    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7281    5.3097    1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595    4.5229    1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    4.0416    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5094    4.4476   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948    2.3862    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9818    2.6882   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556    2.1616   -2.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8767    1.8569   -0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428   -0.1144   -0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570    0.4385    0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9475   -2.4718   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6271   -1.7956    1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -2.9784    1.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -1.2667    1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406   -1.5935   -1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3166   -0.8901   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3172   -2.6380   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9162   -2.7156   -0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430   -1.8307   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -1.1393    1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.4321    0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1145   -2.1267    1.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9285   -3.4248    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4976   -3.2080   -1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0967   -3.1521   -0.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3221   -1.6365   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 14 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  4 36  1  0
  4 37  1  0
  6 38  1  0
  6 39  1  0
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 12 45  1  0
 12 46  1  0
 13 47  1  0
 13 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 18 57  1  0
 19 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 21 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 22 66  1  0
 23 67  1  0
 23 68  1  0
 23 69  1  0
 24 70  1  0
 24 71  1  0
 25 72  1  0
 25 73  1  0
 26 74  1  0
 26 75  1  0
 28 76  1  0
 28 77  1  0
 29 78  1  0
 29 79  1  0
 30 80  1  0
 30 81  1  0
 31 82  1  0
 31 83  1  0
 31 84  1  0
 32 85  1  0
 32 86  1  0
 33 87  1  0
 33 88  1  0
 34 89  1  0
 34 90  1  0
 35 91  1  0
 35 92  1  0
 35 93  1  0
M  CHG  4   1  -1   9  -1  14   1  27   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers