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
3.0151 0.1053 -0.0072 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7559 0.2411 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 0.6166 -1.7416 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6010 -0.0589 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6017 0.0667 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7483 -0.2420 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 -0.6153 1.7411 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0339 -0.1287 0.0776 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.6105 -0.5114 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1624 -0.1176 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7844 0.9161 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 1.4087 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0478 -0.1691 0.2938 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.5776 -1.6459 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9240 -0.9737 0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1577 0.0131 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4511 0.7411 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7037 -0.3797 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 0.3950 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6872 -1.1950 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0645 -1.0322 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2211 0.3808 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1512 0.2937 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4846 -0.9739 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4464 1.8069 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0093 0.5554 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2387 1.9883 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1998 2.1304 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 -2.3707 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6471 -2.1434 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7659 -0.3617 1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7305 -1.7069 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1213 -0.4807 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3129 0.7308 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2623 1.6534 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1284 0.0995 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9333 0.9637 -1.2859 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