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
2.7444 -0.7098 0.8308 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4095 -0.6911 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 -1.7624 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6365 0.4844 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 0.7472 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 -0.1462 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 -1.3089 -0.8697 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7716 0.3191 -0.7622 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3671 -0.1093 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9345 0.2962 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 1.1841 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0303 1.5618 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1463 -0.2262 -0.2641 Sn 0 0 0 0 0 2 0 0 0 0 0 0
1.5288 -1.8337 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7797 -1.5962 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6289 -0.4517 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0286 0.9148 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1736 1.3160 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9947 1.7516 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5090 -0.6028 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0695 0.7219 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5515 -0.9099 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3178 -0.6376 0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 0.7749 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5808 0.6601 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1410 2.0624 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7474 2.2395 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8808 2.0748 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 -2.7323 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7387 -2.1226 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4188 -2.5288 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6159 -1.5717 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 -0.4515 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0592 -0.5983 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5265 1.2512 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9039 1.6249 0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4292 1.0058 0.9756 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