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
-0.9617 -1.9359 -0.0063 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.4396 -0.6654 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -0.6683 -0.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 0.5702 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5248 0.7845 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5686 -0.1618 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.2705 0.5928 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4456 -1.5246 0.4927 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.7389 0.6140 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2291 -0.7479 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7304 -0.7879 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0416 -0.4454 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0853 -0.5716 -0.4728 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.2011 -0.6678 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5920 0.5796 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 0.6208 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8424 0.5838 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3316 1.4647 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8515 1.8661 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9045 1.2827 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3942 0.5179 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3392 1.0734 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6202 -1.5491 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6107 -0.9860 1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4454 -1.8310 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 -0.1055 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2570 0.5693 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2526 -1.1402 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 -0.7635 -1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4189 -1.5679 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9697 0.6198 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3174 1.4623 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3802 -0.1356 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2597 1.6418 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2009 0.8716 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2138 -0.4538 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6840 1.3158 -0.3547 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