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
2.8557 -0.1577 -0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -0.0190 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7100 0.3157 1.4435 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3591 -0.2498 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7810 -0.1010 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0292 -0.3859 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9680 0.5314 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2187 0.8095 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6406 -0.5856 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7003 -0.8264 -1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6807 -0.7907 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7408 0.9555 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2038 -1.3528 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9110 0.3528 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 1.5039 0.2180 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