ChemSpider 2D Image | [(1R,4E,8E,10E,14S)-8-Isopropyl-5,11-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-1-yl]methanol | C20H32O2

[(1R,4E,8E,10E,14S)-8-Isopropyl-5,11-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-1-yl]methanol

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID40256732

  • 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

[(1R,4E,8E,10E,14S)-8-Isopropyl-5,11-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-1-yl]methanol [German] [ACD/IUPAC Name]
[(1R,4E,8E,10E,14S)-8-Isopropyl-5,11-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-1-yl]methanol [ACD/IUPAC Name]
[(1R,4E,8E,10E,14S)-8-Isopropyl-5,11-diméthyl-15-oxabicyclo[12.1.0]pentadéca-4,8,10-trién-1-yl]méthanol [French] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-4,8,10-triene-1-methanol, 5,11-dimethyl-8-(1-methylethyl)-, (1R,4E,8E,10E,14S)- [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: 423.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 172.2±23.0 °C
Index of Refraction: 1.494
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12640.17
ACD/KOC (pH 5.5): 30034.68
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12640.17
ACD/KOC (pH 7.4): 30034.68
Polar Surface Area: 33 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 317.4±3.0 cm3

Click to predict properties on the Chemicalize site


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