ChemSpider 2D Image | (3Z)-4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-3-buten-2-one | C13H20O

(3Z)-4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-3-buten-2-one

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID32787779
  • 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

(3Z)-4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-3-buten-2-on [German] [ACD/IUPAC Name]
(3Z)-4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-3-buten-2-one [ACD/IUPAC Name]
(3Z)-4-[(1R)-2,6,6-Triméthyl-2-cyclohexén-1-yl]-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 4-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 257.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 104.4±0.0 °C
Index of Refraction: 1.512
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 504.95
ACD/KOC (pH 5.5): 2996.33
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 504.95
ACD/KOC (pH 7.4): 2996.33
Polar Surface Area: 17 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 205.7±3.0 cm3

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