Found 3 results

Search term: RFQXTZGKFOTWFL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3s,5s,7s)-1-(4-Methylphenyl)adamantane | C17H22

(3s,5s,7s)-1-(4-Methylphenyl)adamantane

  • Molecular FormulaC17H22
  • Average mass226.357 Da
  • Monoisotopic mass226.172150 Da
  • ChemSpider ID82963810

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-1-(4-Methylphenyl)adamantan [German] [ACD/IUPAC Name]
(3s,5s,7s)-1-(4-Methylphenyl)adamantane [ACD/IUPAC Name]
(3s,5s,7s)-1-(4-Méthylphényl)adamantane [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane, 1-(4-methylphenyl)- [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: 329.5±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 54.9±0.8 kJ/mol
Flash Point: 148.5±7.7 °C
Index of Refraction: 1.580
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9797.25
ACD/KOC (pH 5.5): 25027.78
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9797.25
ACD/KOC (pH 7.4): 25027.78
Polar Surface Area: 0 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 214.7±3.0 cm3

Click to predict properties on the Chemicalize site


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