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