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
2.5961 0.7039 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5036 -0.1918 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8311 -1.2587 0.6566 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1526 0.1161 -0.1547 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7838 -0.8314 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1724 -0.4301 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4721 0.6914 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4855 0.0773 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3447 1.2815 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8740 1.3685 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6567 -0.9650 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5348 -1.8374 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9659 -1.0872 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4946 0.9778 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7073 1.3850 -0.9166 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