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
2.2143 0.2208 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8041 -0.2941 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4794 -1.3573 -0.6054 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1979 0.3518 0.6905 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4875 -0.1497 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3265 0.2262 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 0.8748 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3953 0.8368 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8938 -0.6331 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7457 -0.8413 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0228 0.9139 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3281 -0.1488 -0.2296 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