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
2.9060 0.1078 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6060 -0.3310 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5807 -0.9994 1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3944 -0.0098 -0.3297 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7987 -0.4396 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0008 -0.0122 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9359 0.7611 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1302 -0.4300 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8761 1.1937 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6894 -0.0626 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7673 -1.5541 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9097 -0.0436 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1181 -0.3452 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8596 1.1158 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7928 1.0492 -0.5341 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