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
2.9219 -0.2055 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5240 -0.2249 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3392 -0.6925 1.7401 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4514 0.2441 -0.1813 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 0.1667 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9045 0.6752 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8959 -0.1340 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6263 -0.1649 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1051 0.7505 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0452 -1.0828 -0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0055 -0.8928 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8371 0.7609 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 1.7092 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6913 0.2561 -1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9633 -1.1653 -0.4559 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