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
-2.4082 1.0291 1.5929 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.7072 0.2402 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3636 -0.6318 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.3911 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2930 -0.3893 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7069 -0.2806 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2692 -1.0204 -1.5471 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4682 0.6732 -0.0567 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.9734 -0.5597 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0868 0.6424 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6582 0.2397 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0693 -0.5969 -0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0508 -1.1020 -0.3077 Sn 0 0 0 0 0 2 0 0 0 0 0 0
2.0081 -1.3870 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7412 -0.0472 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 -0.2425 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8773 1.0971 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3166 1.1396 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2768 -1.1512 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7969 -0.4801 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4781 -0.5570 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4443 -1.5127 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4881 1.3543 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0114 1.2215 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6027 -0.3697 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0724 1.1718 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6021 -1.5271 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 -0.0065 -1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4587 -2.1700 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0991 -1.6515 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 0.6225 0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6275 0.3596 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6772 -0.9874 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1857 -0.5391 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4597 1.3642 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6359 1.0262 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1615 1.9169 0.1010 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