ChemSpider 2D Image | (2S,4S,6R)-6-Benzoyl-2-(2-isopropenyl-5-methyl-4-hexen-1-yl)-5,5-dimethyl-4-(3-methyl-2-buten-1-yl)-2-(5-methyl-4-hexenoyl)cyclohexanone | C37H52O3

(2S,4S,6R)-6-Benzoyl-2-(2-isopropenyl-5-methyl-4-hexen-1-yl)-5,5-dimethyl-4-(3-methyl-2-buten-1-yl)-2-(5-methyl-4-hexenoyl)cyclohexanone

  • Molecular FormulaC37H52O3
  • Average mass544.807 Da
  • Monoisotopic mass544.391663 Da
  • ChemSpider ID113386079

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,4S,6R)-6-Benzoyl-2-(2-isopropenyl-5-methyl-4-hexen-1-yl)-5,5-dimethyl-4-(3-methyl-2-buten-1-yl)-2-(5-methyl-4-hexenoyl)cyclohexanon [German] [ACD/IUPAC Name]
(2S,4S,6R)-6-Benzoyl-2-(2-isopropenyl-5-methyl-4-hexen-1-yl)-5,5-dimethyl-4-(3-methyl-2-buten-1-yl)-2-(5-methyl-4-hexenoyl)cyclohexanone [ACD/IUPAC Name]
(2S,4S,6R)-6-Benzoyl-2-(2-isopropényl-5-méthyl-4-hexén-1-yl)-5,5-diméthyl-4-(3-méthyl-2-butén-1-yl)-2-(5-méthyl-4-hexenoyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 6-benzoyl-5,5-dimethyl-4-(3-methyl-2-buten-1-yl)-2-[5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-2-(5-methyl-1-oxo-4-hexen-1-yl)-, (2S,4S,6R)- [ACD/Index Name]
Norgarmultinone A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 255.4±26.7 °C
Index of Refraction: 1.508
Molar Refractivity: 167.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 10.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 51 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 562.8±3.0 cm3

Click to predict properties on the Chemicalize site


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