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
2.8916 0.4532 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6206 -0.2978 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6479 -1.5259 -0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3835 0.2612 0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7973 -0.5387 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 0.2285 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0041 0.4007 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2474 0.6807 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8227 1.3462 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6375 -0.2378 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8273 -1.0341 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7022 -1.3593 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 0.6920 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9171 -0.0493 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8826 0.9805 -0.2515 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