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
3.1267 0.5459 0.0397 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8490 0.0750 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7045 -0.8318 -1.0443 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6735 0.6047 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5772 -0.0484 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3166 -0.6990 0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0242 0.0110 -1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3271 0.6345 -2.1308 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2012 -0.6017 -1.6667 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.9726 -4.4157 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8246 -3.3044 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0814 -2.0021 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8056 -2.0009 -0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0761 -0.0393 -0.7018 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.1861 1.6828 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4431 2.0795 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 3.2982 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6640 4.4322 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9765 0.1163 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9950 -0.5665 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3734 -0.5253 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7590 0.9130 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5569 -2.8598 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6320 -1.7840 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1213 -0.4553 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2164 0.6793 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2148 0.3967 -0.2212 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.7038 2.0545 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2615 2.9728 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1381 3.4487 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8953 4.2146 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1294 -0.9290 0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 -1.4889 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0785 -2.4106 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1473 -3.0032 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 0.5272 1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5489 1.7126 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2482 -1.1904 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9788 -0.7396 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8028 -5.1532 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5376 -4.8812 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0286 -4.0449 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1408 -3.5101 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7579 -3.1745 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8341 -1.7465 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7283 -1.1920 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9666 -2.1295 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 -2.7729 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7031 2.5564 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1476 1.4605 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4602 2.2739 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9057 1.2210 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5401 3.5319 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2842 3.0499 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7956 5.3526 0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 4.5741 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5830 4.2767 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2309 1.1557 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9107 -0.4209 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9618 -0.0763 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 -1.6366 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0488 -1.0817 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2931 -1.0516 1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1828 1.2881 1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4574 1.4852 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8519 0.9781 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6808 -2.8263 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5748 -2.6440 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2171 -3.8767 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6015 -1.9548 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5978 -1.7973 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1407 -0.4973 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1531 -0.2519 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2278 0.6407 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6666 1.6152 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5432 1.6230 -1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 2.5587 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9638 2.3826 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7272 3.8803 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5642 4.1545 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3526 2.5945 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 4.6805 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 3.4969 -0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3752 5.0123 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5460 -1.7354 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 -0.3986 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7503 -0.7138 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6995 -2.1277 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 -1.8870 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4331 -3.2228 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0884 -4.1131 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1618 -2.6886 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9064 -2.7396 -1.2895 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