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
0.0135 1.0515 -1.9713 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0849 0.5247 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5378 1.3197 0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2944 -0.7281 -0.2245 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 -1.3480 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1375 -0.8230 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 1.1177 -2.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4408 2.0643 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7204 0.4367 -2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6386 -2.4011 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 -1.3840 3.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5036 0.1697 2.1508 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