ChemSpider 2D Image | (1aR,4S,7aS)-1a,3,3,4,6,6-Hexamethyl-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene | C16H26O

(1aR,4S,7aS)-1a,3,3,4,6,6-Hexamethyl-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene

  • Molecular FormulaC16H26O
  • Average mass234.377 Da
  • Monoisotopic mass234.198364 Da
  • ChemSpider ID23353931

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aR,4S,7aS)-1a,3,3,4,6,6-Hexamethyl-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxiren [German] [ACD/IUPAC Name]
(1aR,4S,7aS)-1a,3,3,4,6,6-Hexamethyl-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene [ACD/IUPAC Name]
(1aR,4S,7aS)-1a,3,3,4,6,6-Hexaméthyl-1a,2,3,4,5,6,7,7a-octahydronaphto[2,3-b]oxirène [French] [ACD/IUPAC Name]
94400-98-3 [RN]
Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)- [ACD/Index Name]
rel-(1aR,4S,7aS)-1a,2,3,4,5,6,7,7a-Octahydro-1a,3,3,4,6,6-hexamethylnaphth[2,3-b]oxirene
Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 287.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 124.5±22.3 °C
Index of Refraction: 1.511
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4560.85
ACD/KOC (pH 5.5): 14478.98
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4560.85
ACD/KOC (pH 7.4): 14478.98
Polar Surface Area: 13 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 32.5±5.0 dyne/cm
Molar Volume: 237.7±5.0 cm3

Click to predict properties on the Chemicalize site


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