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
2.7278 0.2094 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2458 0.3167 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5813 1.2935 -0.5148 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5304 -0.6537 0.6047 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8488 -0.5962 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 -0.5554 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 0.4647 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 0.7446 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1910 0.6693 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9755 -0.8653 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 -1.5730 1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 0.1922 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5288 -1.3895 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5498 1.2924 -0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9946 0.4504 -1.6426 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