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
1.5998 1.4525 0.1587 O 0 0 0 0 0 1 0 0 0 0 0 0
1.5602 0.1301 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7088 -0.4070 -0.5013 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4572 -0.7751 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7834 -0.5013 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3767 0.7092 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6650 0.7170 0.5783 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6790 1.8715 0.6010 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.9808 0.5434 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1554 -0.6028 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6807 -0.4374 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0857 0.7141 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 0.7217 0.1712 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.1523 0.7005 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6622 -0.6579 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1536 -0.7926 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9181 0.2221 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7046 -1.8376 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5264 -1.3593 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2031 1.2014 0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5664 1.1232 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9711 0.1652 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4725 -1.5076 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3904 -0.8107 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1775 -1.3628 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4503 -0.3315 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4652 1.6972 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1767 0.5910 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6578 1.5279 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3398 0.8077 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -1.3959 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3786 -0.9151 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4286 -1.8045 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4260 -0.7842 -1.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7471 -0.2707 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2735 0.7322 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4248 0.9262 0.1565 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