ChemSpider 2D Image | 7-({(2E)-5-[(1R,3S)-3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-one | C24H30O4

7-({(2E)-5-[(1R,3S)-3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-one

  • Molecular FormulaC24H30O4
  • Average mass382.493 Da
  • Monoisotopic mass382.214417 Da
  • ChemSpider ID26353789

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-[[(2E)-5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methyl-2-penten-1-yl]oxy]- [ACD/Index Name]
532-15-0 [RN]
7-({(2E)-5-[(1R,3S)-3-Hydroxy-2,2-dimethyl-6-methylencyclohexyl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-({(2E)-5-[(1R,3S)-3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-one [ACD/IUPAC Name]
7-({(2E)-5-[(1R,3S)-3-Hydroxy-2,2-diméthyl-6-méthylènecyclohexyl]-3-méthyl-2-pentén-1-yl}oxy)-2H-chromén-2-one [French] [ACD/IUPAC Name]
rel-7-[[5-[(1R,3S)-3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methyl-2-penten-1-yl]oxy]-2H-1-benzopyran-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 182.4±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4329.73
ACD/KOC (pH 5.5): 13949.92
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4329.73
ACD/KOC (pH 7.4): 13949.92
Polar Surface Area: 56 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 335.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement