ChemSpider 2D Image | 3-oxo-15-hydroxy-T-muurolol | C15H24O3

3-oxo-15-hydroxy-T-muurolol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID35518427

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,5S,8S,8aS)-8-Hydroxy-3-(hydroxyméthyl)-5-isopropyl-8-méthyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR,5S,8S,8aS)-8-Hydroxy-3-(hydroxymethyl)-5-isopropyl-8-methyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aR,5S,8S,8aS)-8-Hydroxy-3-(hydroxymethyl)-5-isopropyl-8-methyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-8-hydroxy-3-(hydroxymethyl)-8-methyl-5-(1-methylethyl)-, (4aR,5S,8S,8aS)- [ACD/Index Name]
3-oxo-15-hydroxy-T-muurolol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 409.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 215.8±23.3 °C
Index of Refraction: 1.516
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.46
ACD/KOC (pH 5.5): 655.80
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.46
ACD/KOC (pH 7.4): 655.80
Polar Surface Area: 58 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 232.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement