ChemSpider 2D Image | (3s,5s,7s)-3,5,7-Trimethyl-1-adamantanol | C13H22O

(3s,5s,7s)-3,5,7-Trimethyl-1-adamantanol

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID33286812

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-3,5,7-Trimethyl-1-adamantanol [German] [ACD/IUPAC Name]
(3s,5s,7s)-3,5,7-Trimethyl-1-adamantanol [ACD/IUPAC Name]
(3s,5s,7s)-3,5,7-Triméthyl-1-adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-1-ol, 3,5,7-trimethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 251.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.7±6.0 kJ/mol
Flash Point: 103.5±10.9 °C
Index of Refraction: 1.570
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 548.78
ACD/KOC (pH 5.5): 3180.26
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.78
ACD/KOC (pH 7.4): 3180.26
Polar Surface Area: 20 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 175.4±3.0 cm3

Click to predict properties on the Chemicalize site


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