ChemSpider 2D Image | (1R,2R,5R,8R,11S,12S)-2,12-Dimethyl-6-methylene-16-oxapentacyclo[10.3.2.1~5,8~.0~1,11~.0~2,8~]octadecan-17-one | C20H28O2

(1R,2R,5R,8R,11S,12S)-2,12-Dimethyl-6-methylene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID114544920

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,5R,8R,11S,12S)-2,12-Dimethyl-6-methylen-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-on [German] [ACD/IUPAC Name]
(1R,2R,5R,8R,11S,12S)-2,12-Dimethyl-6-methylene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one [ACD/IUPAC Name]
(1R,2R,5R,8R,11S,12S)-2,12-Diméthyl-6-méthylène-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadécan-17-one [French] [ACD/IUPAC 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: 436.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 184.7±20.3 °C
Index of Refraction: 1.562
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1486.01
ACD/KOC (pH 5.5): 6488.31
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1486.01
ACD/KOC (pH 7.4): 6488.31
Polar Surface Area: 26 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


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