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
-2.8731 0.2146 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 -0.4094 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6891 -1.3254 1.0934 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.0240 -0.2076 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8412 -0.5781 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 0.1218 -0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8971 0.7907 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0353 1.1379 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7885 0.5585 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7196 -0.4923 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0001 -0.5281 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 -1.6765 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9115 0.0538 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6542 1.2698 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9670 0.8867 1.1654 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