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
-0.6274 1.9259 -0.5058 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.3761 0.7921 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6297 0.8733 -0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -0.4648 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3917 -0.7693 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5730 0.0510 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6653 1.2687 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8417 -0.5252 0.5428 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.6261 0.7592 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3414 -0.3519 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8710 -0.4182 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0368 -0.6578 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 -0.7450 0.0236 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.1608 -0.7416 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8250 0.3030 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3137 0.2965 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6229 0.6136 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 -1.2937 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5753 -1.8580 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5450 0.4362 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9117 1.5953 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6682 1.1591 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6777 -1.3353 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8869 -0.1646 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5737 0.5648 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6479 -1.2082 -1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 -1.6062 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 0.1629 1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 -0.4897 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5201 -1.7494 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3532 1.2792 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6474 -0.0541 1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7822 1.0175 1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6724 -0.7253 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4193 1.3869 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9187 -0.3180 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7251 0.9913 -1.5633 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