Found 1 result

Search term: 28286231 (Found by CSID)
ChemSpider 2D Image | (4aS,5S,8aR)-5-(Hydroxymethyl)-1,1,4a,6-tetramethyl-3,4,4a,5,8,8a-hexahydro-2(1H)-naphthalenone | C15H24O2

(4aS,5S,8aR)-5-(Hydroxymethyl)-1,1,4a,6-tetramethyl-3,4,4a,5,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID28286231

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4aS,5S,8aR)-5-(Hydroxyméthyl)-1,1,4a,6-tétraméthyl-3,4,4a,5,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aS,5S,8aR)-5-(Hydroxymethyl)-1,1,4a,6-tetramethyl-3,4,4a,5,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aS,5S,8aR)-5-(Hydroxymethyl)-1,1,4a,6-tetramethyl-3,4,4a,5,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 3,4,4a,5,8,8a-hexahydro-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-, (4aS,5S,8aR)- [ACD/Index Name]
3-ketodrimenol
3-keto-drimenol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 338.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.4±6.0 kJ/mol
Flash Point: 144.1±20.5 °C
Index of Refraction: 1.490
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.31
ACD/KOC (pH 5.5): 1053.98
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.31
ACD/KOC (pH 7.4): 1053.98
Polar Surface Area: 37 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 237.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement