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
-2.8807 0.3383 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5677 0.4007 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4830 1.0391 -1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4272 -0.2238 0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7640 -0.1134 -0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 -0.8320 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9672 -0.1654 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7615 -0.4599 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6642 0.0744 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1306 1.3247 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0387 0.9441 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5810 -0.6451 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 -1.8893 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0481 0.9010 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7881 -0.6936 0.8996 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