ChemSpider 2D Image | 2-[(1S,3S)-3-Hydroxycyclohexyl]-5-(2-methyl-2-octanyl)phenol | C21H34O2

2-[(1S,3S)-3-Hydroxycyclohexyl]-5-(2-methyl-2-octanyl)phenol

  • Molecular FormulaC21H34O2
  • Average mass318.493 Da
  • Monoisotopic mass318.255890 Da
  • ChemSpider ID23232431

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1S,3S)-3-Hydroxycyclohexyl]-5-(2-methyl-2-octanyl)phenol [ACD/IUPAC Name]
2-[(1S,3S)-3-Hydroxycyclohexyl]-5-(2-methyl-2-octanyl)phenol [German] [ACD/IUPAC Name]
2-[(1S,3S)-3-Hydroxycyclohexyl]-5-(2-méthyl-2-octanyl)phénol [French] [ACD/IUPAC Name]
2-[(1S,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
Phenol, 5-(1,1-dimethylheptyl)-2-[(1S,3S)-3-hydroxycyclohexyl]- [ACD/Index Name]
(?)-epi CP 47, 497
(?)-epi CP 47,497 (exempt preparation)
(±)-epi CP 47, 497
(±)-epi CP 47,497
(±)-epi CP 47,497 (exempt preparation)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 421.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 180.7±23.3 °C
Index of Refraction: 1.528
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 35994.00
ACD/KOC (pH 5.5): 63522.98
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 35941.59
ACD/KOC (pH 7.4): 63430.49
Polar Surface Area: 40 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

Click to predict properties on the Chemicalize site


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