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
2.8280 -0.2126 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5786 0.5623 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5920 1.6572 0.7713 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3881 0.0132 -0.1988 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 0.6319 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 -0.2968 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8064 -0.8162 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6520 -1.2978 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 0.0798 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 -0.0672 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0369 0.7633 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9458 1.6102 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8308 -0.5273 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5675 -1.5085 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8706 -0.5916 1.3048 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