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
2.8662 -0.5296 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6208 0.2069 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7506 1.3707 0.4001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3564 -0.2966 -0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 0.4474 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0292 -0.3625 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9497 0.0311 -0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6422 0.1844 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7143 -1.2835 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3423 -0.9862 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8306 1.3095 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 0.7652 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1753 -1.3187 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8460 0.9874 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8475 -0.5255 -1.2328 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