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
-2.2620 -0.2982 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9159 0.3567 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8586 1.5977 0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2638 -0.3549 -0.0459 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4697 0.3250 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5759 -0.3763 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 0.1120 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7864 -0.0763 -0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1740 -1.4016 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4681 1.4054 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5673 -1.4368 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5073 0.1473 0.0197 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