ChemSpider 2D Image | (2aS,5R,8S,8aR,8bR)-8b-Hydroxy-2,2,5,8-tetramethyl-2a,4,5,8,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-7(3H)-one | C15H22O3

(2aS,5R,8S,8aR,8bR)-8b-Hydroxy-2,2,5,8-tetramethyl-2a,4,5,8,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-7(3H)-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID30825518

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2aS,5R,8S,8aR,8bR)-8b-Hydroxy-2,2,5,8-tetramethyl-2a,4,5,8,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-7(3H)-on [German] [ACD/IUPAC Name]
(2aS,5R,8S,8aR,8bR)-8b-Hydroxy-2,2,5,8-tetramethyl-2a,4,5,8,8a,8b-hexahydro-2H-naphtho[1,8-bc]furan-7(3H)-one [ACD/IUPAC Name]
(2aS,5R,8S,8aR,8bR)-8b-Hydroxy-2,2,5,8-tétraméthyl-2a,4,5,8,8a,8b-hexahydro-2H-naphto[1,8-bc]furan-7(3H)-one [French] [ACD/IUPAC Name]
2H-Naphtho[1,8-bc]furan-7(3H)-one, 2a,4,5,8,8a,8b-hexahydro-8b-hydroxy-2,2,5,8-tetramethyl-, (2aS,5R,8S,8aR,8bR)- [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: 393.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.4±6.0 kJ/mol
Flash Point: 144.6±21.4 °C
Index of Refraction: 1.543
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.29
ACD/KOC (pH 5.5): 351.48
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.29
ACD/KOC (pH 7.4): 351.48
Polar Surface Area: 47 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 216.8±5.0 cm3

Click to predict properties on the Chemicalize site


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