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
2.7340 -0.2580 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3543 0.2968 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1261 0.9142 1.1423 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 0.1356 -0.8764 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 0.6372 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5348 0.0068 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6341 -0.7334 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 0.2028 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7444 -1.3628 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0325 -0.1332 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8774 1.7380 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 0.4848 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0463 0.1549 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0572 -1.1922 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1385 -0.8915 -0.4867 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