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
2.6278 0.2992 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2248 -0.0726 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5960 -0.9297 -0.9434 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5659 0.5022 0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 0.1204 1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6981 0.3839 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3799 -0.5892 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8259 1.3648 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2950 -0.3752 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7506 0.0322 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0522 0.7773 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8443 -0.9291 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8100 1.3974 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2874 -1.6120 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0547 -0.3696 -1.3865 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