ChemSpider 2D Image | (3R,5S)-Adamantan-1-ylmethanol | C11H18O

(3R,5S)-Adamantan-1-ylmethanol

  • Molecular FormulaC11H18O
  • Average mass166.260 Da
  • Monoisotopic mass166.135757 Da
  • ChemSpider ID31042624

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3R,5S)-Adamantan-1-ylmethanol [German] [ACD/IUPAC Name]
(3R,5S)-Adamantan-1-ylmethanol [ACD/IUPAC Name]
(3R,5S)-Adamantan-1-ylméthanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, (3R,5S)- [ACD/Index Name]
1-Adamantanemethanol
26177-44-6 [RN]
770-71-8 [RN]

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

MFCD00074751 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 263.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.2±6.0 kJ/mol
Flash Point: 123.4±8.6 °C
Index of Refraction: 1.546
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.71
ACD/KOC (pH 5.5): 741.00
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.71
ACD/KOC (pH 7.4): 741.00
Polar Surface Area: 20 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 152.8±3.0 cm3

Click to predict properties on the Chemicalize site


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