Monomers
Allyl acetate
Identifiers
IUPAC name
prop-2-enyl acetate
InchI
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InchI Key
FWZUNOYOVVKUNF-UHFFFAOYSA-N
SMILES
CC(=O)OCC=C
Canonical SMILES
CC(=O)OCC=C
Isomeric SMILES
CC(=O)OCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
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
15 14 0 0 0 0 0 0 0 0999 V2000
2.4120 -0.0958 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1182 0.2643 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6724 1.4131 0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4088 -0.5687 -0.7711 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8176 -0.2171 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 -0.0030 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 -0.1293 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6518 -1.1652 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4013 0.2165 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1877 0.5288 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 -0.9286 -2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6924 0.7606 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9122 0.2859 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9048 -0.4057 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6638 0.0443 1.5468 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 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
5 11 1 0
5 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers