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
2.8051 -0.2394 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6289 0.2035 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 1.1552 0.7971 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3868 -0.4044 -0.1315 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 0.0667 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9355 -0.7272 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0406 -0.1722 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6256 0.4854 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1641 -1.2398 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 -0.2927 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3877 -0.0441 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8865 1.1369 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9249 -1.7947 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0309 0.8962 -0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9019 -0.7560 -0.2648 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