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
1.8631 -1.0128 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0559 -0.0086 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6735 1.0862 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2783 -0.1845 0.8282 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3091 0.2175 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 0.8149 -1.0503 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7468 -0.0131 0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5087 -1.6074 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1701 -1.7359 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4906 -0.4815 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1509 1.8619 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7262 1.2612 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3878 0.0791 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 -1.0327 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0825 0.7558 1.0922 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