ChemSpider 2D Image | (1R,6S,11S,12R)-12-[2-(3-Furyl)ethyl]-5,5,9-trimethyl-10-oxatricyclo[7.2.1.0~1,6~]dodecan-11-ol | C20H30O3

(1R,6S,11S,12R)-12-[2-(3-Furyl)ethyl]-5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodecan-11-ol

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID40256699

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,6S,11S,12R)-12-[2-(3-Furyl)ethyl]-5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodecan-11-ol [German] [ACD/IUPAC Name]
(1R,6S,11S,12R)-12-[2-(3-Furyl)ethyl]-5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodecan-11-ol [ACD/IUPAC Name]
(1R,6S,11S,12R)-12-[2-(3-Furyl)éthyl]-5,5,9-triméthyl-10-oxatricyclo[7.2.1.01,6]dodécan-11-ol [French] [ACD/IUPAC Name]
1H-3,9a-Methano-2-benzoxepin-1-ol, 10-[2-(3-furanyl)ethyl]octahydro-3,6,6-trimethyl-, (1S,5aS,9aR,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 420.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 207.9±23.2 °C
Index of Refraction: 1.549
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1775.20
ACD/KOC (pH 5.5): 7369.00
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1775.19
ACD/KOC (pH 7.4): 7368.99
Polar Surface Area: 43 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

Click to predict properties on the Chemicalize site


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