4-tert-Amylcyclohexanone

C₁₁H₂₀OCAS 16587-71-6168.28 g/mol

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Properties

Molecular formula: C₁₁H₂₀O
Molar mass: 168.28 g/mol
Exact mass: 168.1514 Da
Density: 0.9245 g/mL (at 20 °C)
Melting point: 96 °C
Boiling point: 110–113 °C (at 12 Torr)
logP: 3.18Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

16587-71-6

SMILES

CCC(C)(C)C1CCC(=O)CC1

InChIKey

DCSKAMGZSIRJAQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3

Weigh it out

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

Names and synonyms

7 names

Cyclohexanone, 4-(1,1-dimethylpropyl)-
Cyclohexanone, 4-tert-pentyl-
4-(1,1-Dimethylpropyl)cyclohexanone
4-tert-Pentylcyclohexanone
Orivone
NSC 21167
4-(tert-Pentyl)cyclohexan-1-one

Work with 4-tert-Amylcyclohexanone

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 Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl linalool10339-55-6 10-Undecenal112-45-8 2-Hexylcyclopentanone13074-65-2 2-Undecenal2463-77-6 10-Undecyn-1-ol2774-84-7 (E)-2-Undecenal53448-07-0 4-Pentylcyclohexanone61203-83-6

Elsewhere

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