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
2.8177 0.1569 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6386 -0.0590 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8123 -0.1832 1.6013 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 -0.1334 -0.1134 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7726 -0.3440 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0194 -0.3757 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9498 0.5206 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6438 0.9438 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6757 0.5045 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0869 -0.7794 -1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 -1.3228 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8116 0.4314 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1119 -1.1300 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8384 1.2643 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8563 0.5060 -0.3652 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