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
2.2275 -0.2278 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8137 0.1536 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 0.4843 -1.3963 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1617 0.1715 0.7424 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 0.5401 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3906 -0.3449 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5412 -0.0445 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8675 0.3968 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4163 -1.3055 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7497 1.5806 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1274 -1.3806 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3990 -0.0236 -0.1103 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