ChemSpider 2D Image | (1R,2R,4aS,8aS)-1-(3-Hydroxy-3-methyl-4-penten-1-yl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol | C20H36O2

(1R,2R,4aS,8aS)-1-(3-Hydroxy-3-methyl-4-penten-1-yl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol

  • Molecular FormulaC20H36O2
  • Average mass308.499 Da
  • Monoisotopic mass308.271515 Da
  • ChemSpider ID64855114

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2R,4aS,8aS)-1-(3-Hydroxy-3-méthyl-4-pentén-1-yl)-2,5,5,8a-tétraméthyldécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(1R,2R,4aS,8aS)-1-(3-Hydroxy-3-methyl-4-penten-1-yl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol [ACD/IUPAC Name]
(1R,2R,4aS,8aS)-1-(3-Hydroxy-3-methyl-4-penten-1-yl)-2,5,5,8a-tetramethyldecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
1-Naphthalenepropanol, α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-, (1R,2R,4aS,8aS)- [ACD/Index Name]
4630-08-4 [RN]
515-03-7 [RN]
MFCD00869558 [MDL number]
Sclareol [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 398.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 169.1±15.0 °C
Index of Refraction: 1.490
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3723.43
ACD/KOC (pH 5.5): 12522.03
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3723.43
ACD/KOC (pH 7.4): 12522.03
Polar Surface Area: 40 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 323.2±3.0 cm3

Click to predict properties on the Chemicalize site


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