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
2.8817 0.2495 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6018 -0.2582 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6657 -0.9405 1.5708 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 0.0039 -0.0737 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8261 -0.5045 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9971 -0.0983 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 0.6273 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6563 1.1512 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3819 -0.5378 -0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5642 0.6032 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7822 -1.6226 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8681 -0.1206 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 -0.4069 -1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8797 0.9313 1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7908 0.9230 -0.3366 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