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
-2.1683 -0.2724 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7267 -0.5241 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2513 -1.4650 0.6717 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1682 0.3544 -0.5911 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5196 0.1796 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1447 0.7408 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3226 0.8250 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8020 -0.6653 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4207 -0.7225 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0528 -0.4236 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5840 1.3432 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 0.6297 0.7527 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