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
2.7858 0.2347 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4171 -0.2992 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -0.9779 -1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -0.0566 0.6089 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 -0.4735 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7191 -0.0747 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7726 0.6327 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0740 0.4746 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8833 1.1963 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5302 -0.4517 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 -1.6086 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -0.2127 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7107 -0.2924 -1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 0.9288 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5723 0.9801 -0.4555 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