ChemSpider 2D Image | (1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (2S)-(4,5-dimethyl-2-furyl)(hydroxy)acetate | C24H32O4

(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (2S)-(4,5-dimethyl-2-furyl)(hydroxy)acetate

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID30651702

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (2S)-(4,5-dimethyl-2-furyl)(hydroxy)acetate [ACD/IUPAC Name]
(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl-(2S)-(4,5-dimethyl-2-furyl)(hydroxy)acetat [German] [ACD/IUPAC Name]
(2S)-(4,5-Diméthyl-2-furyl)(hydroxy)acétate de (1R,2S,5R)-5-méthyl-2-(2-phényl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
2-Furanacetic acid, α-hydroxy-4,5-dimethyl-, (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester, (αS)- [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: 410.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.0±23.2 °C
Index of Refraction: 1.552
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14426.60
ACD/KOC (pH 5.5): 33015.46
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14426.06
ACD/KOC (pH 7.4): 33014.22
Polar Surface Area: 60 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 344.3±5.0 cm3

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