Monomers
Vinyl butyrate
Identifiers
IUPAC name
ethenyl butanoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InchI Key
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SMILES
CCCC(=O)OC=C
Canonical SMILES
CCCC(=O)OC=C
Isomeric SMILES
CCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
H Bond Acceptors
2
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
18 17 0 0 0 0 0 0 0 0999 V2000
-2.9592 -0.7109 0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5118 -0.2469 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0113 0.2437 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3873 0.6772 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5883 1.8305 0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 -0.0620 -0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7711 0.4468 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8633 -0.2404 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4600 -0.1391 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0358 -1.8035 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 -0.4585 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 0.5871 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8755 -1.0979 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1372 -0.5236 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6138 1.1486 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8954 1.4447 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8358 0.1446 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7425 -1.2403 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers