ChemSpider 2D Image | (1E)-1-[(1S)-2,2-Dimethyl-6-methylenecyclohexyl]-1-penten-3-one | C14H22O

(1E)-1-[(1S)-2,2-Dimethyl-6-methylenecyclohexyl]-1-penten-3-one

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID59696450

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1E)-1-[(1S)-2,2-Dimethyl-6-methylencyclohexyl]-1-penten-3-on [German] [ACD/IUPAC Name]
(1E)-1-[(1S)-2,2-Dimethyl-6-methylenecyclohexyl]-1-penten-3-one [ACD/IUPAC Name]
(1E)-1-[(1S)-2,2-Diméthyl-6-méthylènecyclohexyl]-1-pentén-3-one [French] [ACD/IUPAC Name]
1-Penten-3-one, 1-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-, (1E)- [ACD/Index Name]
(1E)-1-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]pent-1-en-3-one
Zerumbodienone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 285.7±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 122.3±17.5 °C
Index of Refraction: 1.478
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.64
ACD/KOC (pH 5.5): 2538.97
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.64
ACD/KOC (pH 7.4): 2538.97
Polar Surface Area: 17 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 30.3±5.0 dyne/cm
Molar Volume: 227.5±5.0 cm3

Click to predict properties on the Chemicalize site


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