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
2.8928 0.1818 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 -0.5545 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6037 -1.8078 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3949 0.0985 -0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 -0.5258 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8767 0.5476 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8834 0.6494 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7205 -0.2988 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7357 1.2401 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1319 0.1613 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1294 -1.1650 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8791 -1.1725 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8433 1.2839 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9847 -0.0561 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6391 1.4180 0.4362 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