ChemSpider 2D Image | (1R,4R,5S,8R,9R)-8-Isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0~4,9~]undecane | C15H26O

(1R,4R,5S,8R,9R)-8-Isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.04,9]undecane

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID64808718

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4R,5S,8R,9R)-8-Isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.04,9]undecan [German] [ACD/IUPAC Name]
(1R,4R,5S,8R,9R)-8-Isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.04,9]undecane [ACD/IUPAC Name]
(1R,4R,5S,8R,9R)-8-Isopropyl-1,5-diméthyl-11-oxatricyclo[6.2.1.04,9]undécane [French] [ACD/IUPAC Name]
1,7-Epoxynaphthalene, decahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,4S,4aR,7R,8aR)- [ACD/Index Name]
(+)-corvol ether A
(1R,4S,4aR,7R,8aR)-4,7-dimethyl-1-(propan-2-yl)decahydro-1,7-epoxynaphthalene
  • Miscellaneous

    • Chemical Class:

      A tricyclic sesquiterpenoid with formula C<smallsub>15</smallsub>H<smallsub>26</smallsub>O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from <ital>Kitasatospora setae</ital>. ChEBI CHEBI:137535
      A tricyclic sesquiterpenoid with formula C15H26O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from Kitasatospora setae. ChEBI CHEBI:137535

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

Density: 1.0±0.1 g/cm3
Boiling Point: 262.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 97.9±15.3 °C
Index of Refraction: 1.494
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1456.92
ACD/KOC (pH 5.5): 6397.14
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1456.92
ACD/KOC (pH 7.4): 6397.14
Polar Surface Area: 9 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement