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
-3.0254 -0.1993 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5189 -0.4857 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8552 0.7569 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6221 0.6136 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2727 1.5939 -0.5912 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2925 -0.5128 0.2241 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6267 -0.7677 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6173 -0.0090 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2052 0.8402 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3972 -0.2090 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5823 -0.9483 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1758 -0.7598 1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3608 -1.3555 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2427 0.9539 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0859 1.5907 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9197 -1.7606 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6587 -0.3222 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4397 0.9806 -0.5239 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