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
2.1049 0.4235 0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8202 0.2477 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7973 -0.0993 -1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 0.4663 0.4581 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 0.2998 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 -0.8811 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8431 -0.2367 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4419 1.4581 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9310 -0.0152 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0601 1.0909 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 -1.7026 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0491 -1.0513 -0.7925 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