Monomers
Vinyl acetate
Identifiers
IUPAC name
ethenyl acetate
InchI
InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InchI Key
XTXRWKRVRITETP-UHFFFAOYSA-N
SMILES
CC(=O)OC=C
Canonical SMILES
CC(=O)OC=C
Isomeric SMILES
CC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.693
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
12 11 0 0 0 0 0 0 0 0999 V2000
2.1758 -0.0760 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 0.2776 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5223 1.4987 0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1348 -0.6308 0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3976 -0.2414 0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4021 -0.0959 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7551 -0.3908 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6506 0.7517 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1806 -0.9544 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 -0.0484 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 -0.2916 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3725 0.2012 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
5 10 1 0
6 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers