Monomers
Isopropenyl acetate
Identifiers
IUPAC name
prop-1-en-2-yl acetate
InchI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InchI Key
HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES
CC(=C)OC(=O)C
Canonical SMILES
CC(=C)OC(=O)C
Isomeric SMILES
CC(=C)OC(=O)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
1.0831
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
1.6909 -0.7149 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9784 0.5590 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 1.7109 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 0.6672 -0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1823 -0.4347 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6672 -1.5675 0.0336 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6656 -0.3914 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5287 -1.3584 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3675 -1.2026 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7875 -0.5153 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7564 1.6847 0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2130 2.6711 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1324 -1.3084 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9153 -0.3269 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0479 0.5270 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
3 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers