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
1.9387 -1.7254 -0.5823 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8212 -0.4118 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7654 0.0795 0.5046 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6502 0.4416 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5578 0.0629 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 -0.9631 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7667 0.8374 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8376 0.5397 0.7488 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8730 1.9526 -0.7228 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.2057 4.3158 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8533 4.0651 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0347 2.7687 0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9324 1.6930 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0097 -0.2134 0.2861 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.0255 -0.5444 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7629 -1.2441 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1965 -1.4972 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8398 -0.1589 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 -1.9546 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1496 -1.6960 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0782 -2.8403 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9980 -3.1608 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5791 -2.5139 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 -2.9578 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1627 -2.8113 0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3548 -1.3827 1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -0.1049 0.5187 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.3781 1.9583 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8364 2.0296 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1488 3.4964 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5913 3.6660 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2393 -0.5375 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0291 0.3561 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5212 0.1168 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8398 -1.3268 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8783 1.5033 -0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4812 0.4802 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3874 -1.2864 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4117 -1.5106 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1715 3.8435 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4532 3.8626 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3192 5.4042 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 3.8944 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3374 4.8858 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8621 2.9463 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2655 2.5603 1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 2.0167 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8135 1.6268 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5267 0.3988 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9674 -1.2190 1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.6426 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2985 -2.2163 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1843 -2.1373 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6855 -1.9982 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4408 0.6139 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9513 -0.2332 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5234 0.1583 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6309 -2.8525 -0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 -2.1663 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5033 -1.5535 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7109 -0.7730 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7167 -2.5324 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5043 -3.7393 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4994 -2.2333 0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4942 -3.6086 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7879 -3.8391 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7598 -3.0980 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6010 -1.4404 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3564 -2.8178 -0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -4.0336 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4476 -2.4232 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0038 -3.3956 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1902 -3.1935 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3404 -1.0392 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3013 -1.2788 2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2949 2.4225 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2711 2.4786 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4331 1.6101 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0378 1.4117 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 4.0172 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4443 3.8662 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6968 4.7198 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7759 2.9463 -1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2432 3.4637 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -0.2335 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 -1.5943 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7275 0.1812 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8633 1.4257 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0837 0.7373 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 0.3916 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8596 -1.9171 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0595 -1.7466 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8046 -1.4486 -0.8282 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