ChemSpider 2D Image | (2Z)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one | C13H20O

(2Z)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID65683660

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-on [German] [ACD/IUPAC Name]
(2Z)-1-[(1R,2S)-2,6,6-Trimethyl-3-cyclohexen-1-yl]-2-buten-1-one [ACD/IUPAC Name]
(2Z)-1-[(1R,2S)-2,6,6-Triméthyl-3-cyclohexén-1-yl]-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2Z)- [ACD/Index Name]
2170282-65-0 [RN]
MFCD31700398
rac-(2Z)-1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]but-2-en-1-one

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

Density: 0.9±0.1 g/cm3
Boiling Point: 263.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 103.7±19.2 °C
Index of Refraction: 1.466
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 296.01
ACD/KOC (pH 5.5): 2044.40
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 296.01
ACD/KOC (pH 7.4): 2044.40
Polar Surface Area: 17 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 216.0±3.0 cm3

Click to predict properties on the Chemicalize site


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