ChemSpider 2D Image | (C6)-CP 47,497 | C20H32O2

(C6)-CP 47,497

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID29342068
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(C6)-CP 47,497 [Wiki]
132296-20-9 [RN]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-methyl-2-heptanyl)phenol [German] [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-methyl-2-heptanyl)phenol [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-méthyl-2-heptanyl)phénol [French] [ACD/IUPAC Name]
CP 47,497-C6-homolog
DU5BQ63J05
Phenol, 5-(1,1-dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]- [ACD/Index Name]
(C6)-CP-47497
2-(3-hydroxycyclohexyl)-5-(2-methylheptan-2-yl)phenol [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 407.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 176.3±23.3 °C
Index of Refraction: 1.531
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20137.39
ACD/KOC (pH 5.5): 41916.96
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20111.70
ACD/KOC (pH 7.4): 41863.47
Polar Surface Area: 40 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 298.8±3.0 cm3

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