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
-2.1460 1.0485 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0338 0.0480 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0040 -1.0151 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3711 -0.4160 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5433 0.8246 0.0711 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4774 -1.1945 -0.2275 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 -0.7921 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2603 0.4142 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2136 1.3638 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8641 0.6735 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5833 1.9963 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8494 0.5948 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0053 -0.4668 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9813 -1.6804 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2971 -1.5955 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4687 -1.6574 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3446 0.5400 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7316 1.3143 -0.2178 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