ChemSpider 2D Image | 1β-bromo-4β,5β-epoxyselinane | C15H25BrO

1β-bromo-4β,5β-epoxyselinane

  • Molecular FormulaC15H25BrO
  • Average mass301.262 Da
  • Monoisotopic mass300.108856 Da
  • ChemSpider ID62821622

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aS,4R,4aR,7R,8aR)-4-Brom-7-isopropyl-1a,4a-dimethyloctahydro-1aH-naphtho[1,8a-b]oxiren [German] [ACD/IUPAC Name]
(1aS,4R,4aR,7R,8aR)-4-Bromo-7-isopropyl-1a,4a-dimethyloctahydro-1aH-naphtho[1,8a-b]oxirene [ACD/IUPAC Name]
(1aS,4R,4aR,7R,8aR)-4-Bromo-7-isopropyl-1a,4a-diméthyloctahydro-1aH-naphto[1,8a-b]oxirène [French] [ACD/IUPAC Name]
1β-bromo-4β,5β-epoxyselinane
3H-Naphth[1,8a-b]oxirene, 4-bromooctahydro-1a,4a-dimethyl-7-(1-methylethyl)-, (1aS,4R,4aR,7R,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 129.2±24.3 °C
Index of Refraction: 1.529
Molar Refractivity: 74.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1244.73
ACD/KOC (pH 5.5): 5715.50
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1244.73
ACD/KOC (pH 7.4): 5715.50
Polar Surface Area: 13 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 242.3±5.0 cm3

Click to predict properties on the Chemicalize site


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