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
2.7359 0.3432 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3841 -0.2920 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0546 -1.1882 0.9112 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4706 0.1341 -0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8375 -0.4026 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6138 -0.2083 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7381 0.4878 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1112 0.4519 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 1.3470 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4891 -0.2540 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3296 0.1521 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8206 -1.4683 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2554 -0.6373 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0930 0.9202 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 0.6145 1.2321 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