ChemSpider 2D Image | (1S)-1-[(3R,5R,7R)-Adamantan-1-yl]-1-propanol | C13H22O

(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]-1-propanol

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID61650678

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]-1-propanol [German] [ACD/IUPAC Name]
(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]-1-propanol [ACD/IUPAC Name]
(1S)-1-[(3R,5R,7R)-Adamantan-1-yl]-1-propanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, α-ethyl-, (αS)- [ACD/Index Name]
1567878-95-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 135.5±8.6 °C
Index of Refraction: 1.538
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.50
ACD/KOC (pH 5.5): 1563.44
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.50
ACD/KOC (pH 7.4): 1563.44
Polar Surface Area: 20 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 183.8±3.0 cm3

Click to predict properties on the Chemicalize site


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