ChemSpider 2D Image | (2R,3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol | C13H22O

(2R,3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID75184437

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 281.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.3±6.0 kJ/mol
Flash Point: 105.7±15.0 °C
Index of Refraction: 1.530
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 882.29
ACD/KOC (pH 5.5): 4467.54
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 882.29
ACD/KOC (pH 7.4): 4467.54
Polar Surface Area: 20 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement