ChemSpider 2D Image | (1R,7S)-3-Allyl-7-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-6-methoxy-7-methylbicyclo[3.1.1]hepta-3,5-dien-2-one | C20H20O5

(1R,7S)-3-Allyl-7-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-6-methoxy-7-methylbicyclo[3.1.1]hepta-3,5-dien-2-one

  • Molecular FormulaC20H20O5
  • Average mass340.370 Da
  • Monoisotopic mass340.131073 Da
  • ChemSpider ID24531971

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,7S)-3-Allyl-7-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-6-methoxy-7-methylbicyclo[3.1.1]hepta-3,5-dien-2-on [German] [ACD/IUPAC Name]
(1R,7S)-3-Allyl-7-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-6-methoxy-7-methylbicyclo[3.1.1]hepta-3,5-dien-2-one [ACD/IUPAC Name]
(1R,7S)-3-Allyl-7-[(R)-1,3-benzodioxol-5-yl(hydroxy)méthyl]-6-méthoxy-7-méthylbicyclo[3.1.1]hepta-3,5-dién-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hepta-3,5-dien-2-one, 7-[(R)-1,3-benzodioxol-5-ylhydroxymethyl]-6-methoxy-7-methyl-3-(2-propen-1-yl)-, (1R,7S)- [ACD/Index Name]
piperkadsin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 195.7±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.24
ACD/KOC (pH 5.5): 669.63
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.24
ACD/KOC (pH 7.4): 669.63
Polar Surface Area: 65 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 257.8±5.0 cm3

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