ChemSpider 2D Image | (1E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one | C14H22O

(1E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID32786863

  • 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)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-on [German] [ACD/IUPAC Name]
(1E)-1-[(1S)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one [ACD/IUPAC Name]
(1E)-1-[(1S)-2,6,6-Triméthyl-2-cyclohexén-1-yl]-1-pentén-3-one [French] [ACD/IUPAC Name]
1-Penten-3-one, 1-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)- [ACD/Index Name]
127-42-4 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 285.1±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 122.0±17.5 °C
Index of Refraction: 1.509
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 860.18
ACD/KOC (pH 5.5): 4387.14
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 860.18
ACD/KOC (pH 7.4): 4387.14
Polar Surface Area: 17 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 222.2±3.0 cm3

Click to predict properties on the Chemicalize site


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