ChemSpider 2D Image | (1R,4R,5S,7S,8S)-7-(Hydroxymethyl)-4-isopropyl-1,8-dimethylbicyclo[3.2.1]octan-6-one | C14H24O2

(1R,4R,5S,7S,8S)-7-(Hydroxymethyl)-4-isopropyl-1,8-dimethylbicyclo[3.2.1]octan-6-one

  • Molecular FormulaC14H24O2
  • Average mass224.339 Da
  • Monoisotopic mass224.177628 Da
  • ChemSpider ID78439575

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,4R,5S,7S,8S)-7-(Hydroxymethyl)-4-isopropyl-1,8-dimethylbicyclo[3.2.1]octan-6-on [German] [ACD/IUPAC Name]
(1R,4R,5S,7S,8S)-7-(Hydroxymethyl)-4-isopropyl-1,8-dimethylbicyclo[3.2.1]octan-6-one [ACD/IUPAC Name]
(1R,4R,5S,7S,8S)-7-(Hydroxyméthyl)-4-isopropyl-1,8-diméthylbicyclo[3.2.1]octan-6-one [French] [ACD/IUPAC Name]
Bicyclo[3.2.1]octan-6-one, 7-(hydroxymethyl)-1,8-dimethyl-4-(1-methylethyl)-, (1R,4R,5S,7S,8S)- [ACD/Index Name]
drechslerine C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 319.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.0±6.0 kJ/mol
Flash Point: 135.4±13.0 °C
Index of Refraction: 1.485
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.95
ACD/KOC (pH 5.5): 424.71
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.95
ACD/KOC (pH 7.4): 424.71
Polar Surface Area: 37 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 224.9±3.0 cm3

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