ChemSpider 2D Image | (1R,3aR,4R,5S,7aR)-5-(Benzylamino)-3a,7a-dimethyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-ol | C26H43NO

(1R,3aR,4R,5S,7aR)-5-(Benzylamino)-3a,7a-dimethyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-ol

  • Molecular FormulaC26H43NO
  • Average mass385.626 Da
  • Monoisotopic mass385.334473 Da
  • ChemSpider ID29416134

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3aR,4R,5S,7aR)-5-(Benzylamino)-3a,7a-dimethyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-ol [German] [ACD/IUPAC Name]
(1R,3aR,4R,5S,7aR)-5-(Benzylamino)-3a,7a-dimethyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-ol [ACD/IUPAC Name]
(1R,3aR,4R,5S,7aR)-5-(Benzylamino)-3a,7a-diméthyl-1-[(2R)-6-méthyl-2-heptanyl]octahydro-1H-indén-4-ol [French] [ACD/IUPAC Name]
1H-Inden-4-ol, 1-[(1R)-1,5-dimethylhexyl]octahydro-3a,7a-dimethyl-5-[(phenylmethyl)amino]-, (1R,3aR,4R,5S,7aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 481.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 8.7±14.7 °C
Index of Refraction: 1.533
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 115.52
ACD/KOC (pH 5.5): 145.17
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 1746.50
ACD/KOC (pH 7.4): 2194.83
Polar Surface Area: 32 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 387.8±5.0 cm3

Click to predict properties on the Chemicalize site


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