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
2.7656 0.2957 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3882 -0.2268 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9718 -0.6655 1.4851 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 -0.2348 -0.6911 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7958 -0.7041 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6446 0.0261 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7166 0.6775 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8284 0.8949 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4388 -0.6030 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 0.9589 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8125 -1.8149 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2033 -0.5713 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3922 0.0315 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3737 1.2314 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0189 0.7045 -1.1752 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