ChemSpider 2D Image | (4aR,5S,6R,8aS)-6,8a-Dihydroxy-5-(hydroxymethyl)-1,1,4a,6-tetramethyloctahydro-2(1H)-naphthalenone | C15H26O4

(4aR,5S,6R,8aS)-6,8a-Dihydroxy-5-(hydroxymethyl)-1,1,4a,6-tetramethyloctahydro-2(1H)-naphthalenone

  • Molecular FormulaC15H26O4
  • Average mass270.365 Da
  • Monoisotopic mass270.183105 Da
  • ChemSpider ID28666954

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,5S,6R,8aS)-6,8a-Dihydroxy-5-(hydroxyméthyl)-1,1,4a,6-tétraméthyloctahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR,5S,6R,8aS)-6,8a-Dihydroxy-5-(hydroxymethyl)-1,1,4a,6-tetramethyloctahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aR,5S,6R,8aS)-6,8a-Dihydroxy-5-(hydroxymethyl)-1,1,4a,6-tetramethyloctahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, octahydro-6,8a-dihydroxy-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-, (4aR,5S,6R,8aS)- [ACD/Index Name]
diaporol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 409.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 215.6±25.2 °C
Index of Refraction: 1.529
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 81.88
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 81.88
Polar Surface Area: 78 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement