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
2.4987 0.7651 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1290 0.2646 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 0.6819 -1.4283 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7244 -0.7120 0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5719 -1.2308 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 -0.1091 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4830 0.2290 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7792 1.0161 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6584 1.6840 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1792 -0.0421 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6631 -1.9141 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8528 -1.7830 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3866 0.4143 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1390 1.0413 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6119 -0.3051 -1.1822 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