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
2.5795 0.6386 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4990 -0.3130 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7984 -1.4906 -0.2293 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1668 0.0788 0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7979 -0.8784 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1714 -0.3632 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4514 0.8700 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5655 1.5617 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5267 0.8960 1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5587 0.1654 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6543 -1.8301 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -1.1250 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 -1.0134 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6152 1.5272 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4568 1.2762 0.1870 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