Found 2 results

Search term: GEXWWEBYLJOWHA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1r,3r,5r,7r)-2-Allyl-2-adamantanol | C13H20O

(1r,3r,5r,7r)-2-Allyl-2-adamantanol

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID32967350

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1r,3r,5r,7r)-2-Allyl-2-adamantanol [German] [ACD/IUPAC Name]
(1r,3r,5r,7r)-2-Allyl-2-adamantanol [ACD/IUPAC Name]
(1r,3r,5r,7r)-2-Allyl-2-adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-2-ol, 2-(2-propen-1-yl)- [ACD/Index Name]
53082-16-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 271.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.1±6.0 kJ/mol
Flash Point: 109.4±11.0 °C
Index of Refraction: 1.536
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 132.14
ACD/KOC (pH 5.5): 1147.76
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 132.14
ACD/KOC (pH 7.4): 1147.76
Polar Surface Area: 20 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 184.0±3.0 cm3

Click to predict properties on the Chemicalize site


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