ChemSpider 2D Image | 1R-bromo-ent-maaliol | C15H25BrO

1R-bromo-ent-maaliol

  • Molecular FormulaC15H25BrO
  • Average mass301.262 Da
  • Monoisotopic mass300.108856 Da
  • ChemSpider ID62816275

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1aS,3aR,4R,7S,7bS)-4-Brom-1,1,3a,7-tetramethyldecahydro-1H-cyclopropa[a]naphthalin-7-ol [German] [ACD/IUPAC Name]
(1aS,3aR,4R,7S,7bS)-4-Bromo-1,1,3a,7-tétraméthyldécahydro-1H-cyclopropa[a]naphtalén-7-ol [French] [ACD/IUPAC Name]
(1aS,3aR,4R,7S,7bS)-4-Bromo-1,1,3a,7-tetramethyldecahydro-1H-cyclopropa[a]naphthalen-7-ol [ACD/IUPAC Name]
1H-Cyclopropa[a]naphthalen-7-ol, 4-bromodecahydro-1,1,3a,7-tetramethyl-, (1aS,3aR,4R,7S,7bS)- [ACD/Index Name]
1R-bromo-ent-maaliol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 336.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 67.2±6.0 kJ/mol
Flash Point: 157.3±25.9 °C
Index of Refraction: 1.535
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3217.66
ACD/KOC (pH 5.5): 11279.55
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3217.66
ACD/KOC (pH 7.4): 11279.55
Polar Surface Area: 20 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 240.1±3.0 cm3

Click to predict properties on the Chemicalize site


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