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
2.3532 -0.6856 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 -0.1017 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1609 -0.1958 1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 0.5621 -0.4482 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7323 1.1341 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8537 0.1947 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7108 -1.0961 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7282 -0.5670 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3447 -1.7419 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -0.1399 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 1.8755 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 1.6973 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8457 0.6227 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7834 -1.6225 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6138 -1.7459 -0.5543 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