Monomers
Dibutyltinmaleate
Identifiers
IUPAC name
(Z)-but-2-enedioate;dibutyltin(2+)
InchI
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-;;;
InchI Key
ZBBLRPRYYSJUCZ-GRHBHMESSA-L
SMILES
[O-]C(=O)/C=C\C(=O)[O-].CCCC[Sn+2]CCCC
Canonical SMILES
CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+2]CCCC.C(=C\C(=O)[O-])\C(=O)[O-]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H20O4Sn
Heavy Atom Count
17
Molecular Weight
346.999
Exact Molecular Weight
348.0384
Valence Electrons
96
Radical Electrons
0
tPSA
80.26
MolLogP
0.1698
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
37 35 0 0 0 0 0 0 0 0999 V2000
2.7208 -0.4307 -1.3463 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8119 0.1531 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1787 1.0883 0.2726 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4202 -0.2707 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4417 0.3049 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 -0.1436 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6006 0.4158 1.2908 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2304 -1.1754 -0.3368 O 0 0 0 0 0 1 0 0 0 0 0 0
4.1404 1.3338 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1338 -0.1553 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8507 -0.7695 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7013 -0.0724 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1715 -0.8507 -0.2537 Sn 0 0 0 0 0 2 0 0 0 0 0 0
-2.0977 -1.7011 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1760 -1.0186 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2246 0.4506 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2649 1.1990 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0829 -1.0600 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 1.1181 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8687 1.5831 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2072 1.6625 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5352 1.8791 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0212 -0.6030 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0782 -0.2788 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7364 -0.4857 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8483 -1.8542 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8039 -0.1321 1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7888 1.0141 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -1.5550 -1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0891 -2.7896 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0290 -1.1677 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1415 -1.4585 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3115 0.5993 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2170 0.8653 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1146 0.5713 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6880 1.9853 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8081 1.7486 1.4650 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 2 3
5 6 1 0
6 7 2 0
6 8 1 0
9 10 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
4 18 1 0
5 19 1 0
9 20 1 0
9 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
11 25 1 0
11 26 1 0
12 27 1 0
12 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
16 33 1 0
16 34 1 0
17 35 1 0
17 36 1 0
17 37 1 0
M CHG 3 1 -1 8 -1 13 2
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers