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
0.7950 2.1463 -1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 0.7956 -0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8333 0.2485 -0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3853 0.1262 -0.9137 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5790 -1.1535 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1670 -1.0956 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0390 -1.3702 1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7256 2.2708 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0639 2.2354 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6759 2.9346 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 -1.4140 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 -1.9360 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8593 -0.8235 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7244 -1.3242 3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0604 -1.6404 1.7643 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