ChemSpider 2D Image | 2-({(3aR,6S,7aS)-1-[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl]-3a-methoxyoctahydro-1H-indol-6-yl}oxy)ethanol | C22H35NO4

2-({(3aR,6S,7aS)-1-[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl]-3a-methoxyoctahydro-1H-indol-6-yl}oxy)ethanol

  • Molecular FormulaC22H35NO4
  • Average mass377.518 Da
  • Monoisotopic mass377.256622 Da
  • ChemSpider ID52619895

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-({(3aR,6S,7aS)-1-[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl]-3a-methoxyoctahydro-1H-indol-6-yl}oxy)ethanol [German] [ACD/IUPAC Name]
2-({(3aR,6S,7aS)-1-[3-(Hydroxymethyl)-2,4,6-trimethylbenzyl]-3a-methoxyoctahydro-1H-indol-6-yl}oxy)ethanol [ACD/IUPAC Name]
2-({(3aR,6S,7aS)-1-[3-(Hydroxyméthyl)-2,4,6-triméthylbenzyl]-3a-méthoxyoctahydro-1H-indol-6-yl}oxy)éthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 2,4,6-trimethyl-3-[[(3aR,6S,7aS)-octahydro-6-(2-hydroxyethoxy)-3a-methoxy-1H-indol-1-yl]methyl]- [ACD/Index Name]
2-({rac-(3aR,6S,7aS)-1-[3-(hydroxymethyl)-2,4,6-trimethylbenzyl]-3a-methoxyoctahydro-1H-indol-6-yl}oxy)ethanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.7±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.92
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 7.56
ACD/KOC (pH 7.4): 97.63
Polar Surface Area: 62 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 327.3±5.0 cm3

Click to predict properties on the Chemicalize site


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