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
-2.8678 0.0808 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6125 0.1386 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6467 0.5422 1.5445 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3835 -0.2370 -0.1575 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7693 -0.1481 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9872 -0.5877 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9902 0.2628 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1900 1.0905 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6748 -0.3047 0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 -0.5961 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8505 0.8982 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6533 -0.8099 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 -1.5876 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 -0.0184 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9428 1.2763 0.2054 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