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
-2.2416 0.0275 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 -0.4741 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 -1.6910 0.2465 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2125 0.3646 0.0854 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4453 -0.1706 0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 0.6502 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9030 0.0849 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6566 -0.6096 -1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 1.0736 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 -1.2154 0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4321 0.2630 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3526 1.6970 0.2845 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