ChemSpider 2D Image | (1S,4S,4aR,8aS)-6-(Hydroxymethyl)-4-isopropyl-1-methyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol | C15H26O2

(1S,4S,4aR,8aS)-6-(Hydroxymethyl)-4-isopropyl-1-methyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID27024033

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(1S,4S,4aR,8aS)-6-(Hydroxyméthyl)-4-isopropyl-1-méthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalénol [French] [ACD/IUPAC Name]
(1S,4S,4aR,8aS)-6-(Hydroxymethyl)-4-isopropyl-1-methyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol [ACD/IUPAC Name]
(1S,4S,4aR,8aS)-6-(Hydroxymethyl)-4-isopropyl-1-methyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinol [German] [ACD/IUPAC Name]
2-Naphthalenemethanol, 3,4,4a,5,6,7,8,8a-octahydro-5-hydroxy-5-methyl-8-(1-methylethyl)-, (4aS,5S,8S,8aR)- [ACD/Index Name]
()-15-hydroxy-T-muurolol
15-hydroxy-T-muurolol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 357.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 162.4±20.5 °C
Index of Refraction: 1.506
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 269.11
ACD/KOC (pH 5.5): 1909.66
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 269.11
ACD/KOC (pH 7.4): 1909.66
Polar Surface Area: 40 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 235.8±3.0 cm3

Click to predict properties on the Chemicalize site


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