ChemSpider 2D Image | Epicubenol | C15H26O

Epicubenol

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID68026550

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,4aS,8aR)-1-Isopropyl-4,7-diméthyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphtalénol [French] [ACD/IUPAC Name]
(1S,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol [ACD/IUPAC Name]
(1S,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalinol [German] [ACD/IUPAC Name]
19912-67-5 [RN]
4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4R,4aS,8aR)- [ACD/Index Name]
Epicubenol
(-)-epicubenol
(-)-epi-cubenol
(+)-epicubenol
(1S,4R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol
More...
  • Miscellaneous

    • Chemical Class:

      A sesquiterpenoid that is (8aS)-1,2,3,4,4a,5,6,8a-octahydronaphthalene substituted by an isopropyl group at position 1, methyl groups at positions 4 and 7, and by a hydroxy group at position 4a (the 1 S,4R,4aS,8aR-diastereoisomer). ChEBI CHEBI:156227

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

Density: 1.0±0.1 g/cm3
Boiling Point: 303.4±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.1±6.0 kJ/mol
Flash Point: 128.3±14.3 °C
Index of Refraction: 1.499
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1865.12
ACD/KOC (pH 5.5): 7634.31
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1865.12
ACD/KOC (pH 7.4): 7634.31
Polar Surface Area: 20 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 233.6±3.0 cm3

Click to predict properties on the Chemicalize site


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