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
-2.4437 0.6467 -0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1202 -0.5962 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.5078 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3271 -0.2193 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1961 -0.0852 -1.1772 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5804 -0.0942 0.6307 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6645 0.1795 -0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8550 0.3004 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9290 0.7406 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2727 1.5475 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5583 0.6480 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9731 -0.8265 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0028 -1.4412 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9791 0.2191 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7232 -1.5049 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5348 0.2899 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0160 0.1914 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7177 0.5120 -0.3228 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