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
-2.7405 0.5111 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 0.5802 1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 1.0322 2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4410 0.1634 0.0936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9725 0.2341 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6010 -0.2788 -1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -1.3103 -1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1114 0.7083 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1414 1.2439 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1087 -0.5135 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 1.2611 0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2908 -0.3839 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 0.2074 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6140 -1.7608 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8776 -1.6945 -1.8864 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