chempirical

4-Isopropylcyclohexanone

C9H16OCAS 5432-85-9140.23 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C9H16O
Molar mass
140.23 g/mol
Exact mass
140.1201 Da
Density
0.9175 g/mL (at 18 °C)
Boiling point
214–214.5 °C
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
5432-85-9
SMILES
CC(C)C1CCC(=O)CC1
InChIKey
FPKISACHVIIMRA-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Cyclohexanone, 4-(1-methylethyl)-
  • Cyclohexanone, 4-isopropyl-
  • 4-(1-Methylethyl)cyclohexanone
  • NSC 21125
  • 4-Isopropylcyclohexan-1-one

Work with 4-Isopropylcyclohexanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methylcyclohexanone589-92-457 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-348 % similar 3-Methylcyclopentanone1757-42-246 % similar 4-Ethylcyclohexanone5441-51-046 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-345 % similar 4-(1-Methylethyl)cyclohexanecarboxylic acid62067-45-245 % similar trans-4-(1-Methylethyl)cyclohexanecarboxylic acid7077-05-645 % similar 4-Propylcyclohexanone40649-36-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclohexylacetone103-78-6 (±)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2

Elsewhere

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