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
2.6724 -0.2058 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2209 -0.1890 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5776 -1.2422 -0.0675 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4914 0.9118 0.5583 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 0.8204 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6222 0.4535 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3701 -0.6373 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0541 -1.2248 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2199 0.4635 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9188 0.0815 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2316 1.8172 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0795 0.1057 1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5682 1.0766 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4849 -1.3266 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9072 -0.9045 -1.4825 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