ChemSpider 2D Image | RQ12GMY0FZ | C18H26O

RQ12GMY0FZ

  • Molecular FormulaC18H26O
  • Average mass258.398 Da
  • Monoisotopic mass258.198364 Da
  • ChemSpider ID32700938
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

4,5-Dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol [ACD/IUPAC Name]
4,5-Dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol [German] [ACD/IUPAC Name]
4,5-Diméthyl-2-[(1R,2S,4S)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 4,5-dimethyl-2-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
RQ12GMY0FZ
UNII:RQ12GMY0FZ
UNII-RQ12GMY0FZ
Xibornol

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

2748 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 320.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 144.2±8.9 °C
Index of Refraction: 1.546
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11386.81
ACD/KOC (pH 5.5): 27871.50
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11379.58
ACD/KOC (pH 7.4): 27853.79
Polar Surface Area: 20 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

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