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
-2.2833 -0.0249 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 -0.1192 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8348 -0.3646 1.6333 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2445 0.0595 -0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4688 -0.0320 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5561 0.1491 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0906 0.2373 -1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8496 -0.9547 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 0.8342 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 -0.2424 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5588 0.0961 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 0.3616 -1.4179 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