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
-2.6423 0.4900 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4584 -0.4029 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6950 -1.6395 -0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1624 0.0729 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 -0.8759 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2069 -0.2379 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 1.0753 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1227 0.4934 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3564 1.5165 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3324 0.0904 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7478 -1.5707 0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -1.4945 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0805 -0.8550 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 1.7405 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2675 1.5974 0.3928 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