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
2.7690 0.0552 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3674 -0.3468 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9171 -1.4822 -0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5149 0.5069 0.6224 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7839 0.1099 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6204 -0.2366 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7411 0.4167 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9179 0.0083 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4844 -0.6667 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9777 1.0533 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7917 -0.7437 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2529 0.9579 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3452 -1.0348 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0350 1.2188 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3782 0.1839 -1.3048 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