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
-3.1123 -0.3781 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.3365 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.2057 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5819 0.4246 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 1.3150 -0.7405 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 0.0827 0.7894 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9763 0.6652 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8201 0.2153 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0988 -0.7911 0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0022 0.2985 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3122 -1.2468 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9515 1.4282 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6243 0.0809 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9714 0.0537 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 -1.3091 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2382 1.5375 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5703 -0.6509 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7569 0.6978 -0.5055 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