ChemSpider 2D Image | (1S,2R,4aS,5S,8aR)-1,5-Bis(hydroxymethyl)-1,4a,6-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenol | C15H26O3

(1S,2R,4aS,5S,8aR)-1,5-Bis(hydroxymethyl)-1,4a,6-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78440852

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,4aS,5S,8aR)-1,5-Bis(hydroxyméthyl)-1,4a,6-triméthyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(1S,2R,4aS,5S,8aR)-1,5-Bis(hydroxymethyl)-1,4a,6-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenol [ACD/IUPAC Name]
(1S,2R,4aS,5S,8aR)-1,5-Bis(hydroxymethyl)-1,4a,6-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalinol [German] [ACD/IUPAC Name]
1,5-Naphthalenedimethanol, 1,2,3,4,4a,5,8,8a-octahydro-2-hydroxy-1,4a,6-trimethyl-, (1S,2R,4aS,5S,8aR)- [ACD/Index Name]
3,11,15-trihydroxydrimene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 391.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.1±6.0 kJ/mol
Flash Point: 180.6±22.5 °C
Index of Refraction: 1.517
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.19
ACD/KOC (pH 5.5): 288.47
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.19
ACD/KOC (pH 7.4): 288.47
Polar Surface Area: 61 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

Click to predict properties on the Chemicalize site


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