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
2.1724 0.1422 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 -0.4230 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6366 -1.5384 -0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2720 0.3298 0.5198 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5750 -0.0427 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2083 0.2831 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2414 0.4258 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2484 1.0977 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 -0.5360 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1174 -0.6020 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2400 0.0200 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7031 0.8435 -1.5360 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