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
2.7948 0.4240 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 0.4328 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7446 1.5003 -0.8113 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 -0.6673 -0.4512 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8532 -0.6504 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6698 0.1775 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 -0.3921 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 1.4486 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0682 0.0429 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3639 -0.2356 -1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2052 -1.7022 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0625 -0.3288 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5825 1.2466 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7967 -1.4674 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2559 0.1711 1.5850 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