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
2.9621 -0.3657 1.1773 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8857 0.2494 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1364 1.3168 -0.0990 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6355 -0.4978 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 0.0523 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5971 1.1617 -0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8098 -0.7131 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8047 -0.2696 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8069 -1.8870 0.5889 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.4631 3.1646 0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2031 3.7445 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 2.8543 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2317 1.5457 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.2945 -0.1594 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.2608 0.7880 -1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 1.1515 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7503 -0.0151 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1532 -1.2409 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 -1.6916 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1193 -2.1737 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4571 -3.5687 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7735 -4.0125 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0777 0.7244 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4844 -0.4222 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1232 -0.7851 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2108 0.4132 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2443 -0.0261 0.5027 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.0881 1.6248 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9298 2.5910 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8370 3.7931 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2891 3.4296 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5375 -2.0216 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0321 -1.9724 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6757 -3.3235 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2874 -4.1285 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 -0.8289 1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8545 -1.4800 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5242 1.4475 -1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2244 1.8143 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 2.2390 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2760 3.9209 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 2.9993 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0164 4.7076 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 3.9693 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1483 3.3501 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7280 2.6701 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1387 1.0801 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 1.7401 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 1.6491 -1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6058 -0.0598 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2309 2.0373 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3137 1.3150 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9450 -0.2180 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6476 0.3034 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0654 -1.7179 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3576 -1.9874 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3776 -0.9768 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0382 -2.3674 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0552 -1.6099 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9007 -1.4913 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1485 -2.1044 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6525 -4.2475 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4390 -3.6064 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5431 -4.0160 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1527 -3.3451 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6917 -5.0736 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6185 0.7152 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1627 0.5829 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8334 1.7096 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4712 -0.2019 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1428 -1.3112 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 -1.5741 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 -1.0947 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6129 1.2917 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0997 0.7423 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 2.1307 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1549 1.2889 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 2.0704 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1144 2.9693 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 4.4214 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 4.3426 0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6022 3.1937 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5504 2.6046 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8658 4.3464 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2089 -2.4720 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1094 -2.6492 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3967 -1.4088 -0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3832 -1.4549 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7789 -3.1631 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5022 -3.8940 1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1886 -4.6187 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 -3.5184 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5885 -4.9453 -0.4500 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