ChemSpider 2D Image | (4aS,7S)-2-Methoxy-3,4a,6,8-tetramethyl-7-[(2E)-5-methyl-2-hexen-2-yl]-4a,7-dihydro-4H-chromen-4-one | C21H30O3

(4aS,7S)-2-Methoxy-3,4a,6,8-tetramethyl-7-[(2E)-5-methyl-2-hexen-2-yl]-4a,7-dihydro-4H-chromen-4-one

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID44210852

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7S)-2-Methoxy-3,4a,6,8-tetramethyl-7-[(2E)-5-methyl-2-hexen-2-yl]-4a,7-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(4aS,7S)-2-Methoxy-3,4a,6,8-tetramethyl-7-[(2E)-5-methyl-2-hexen-2-yl]-4a,7-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(4aS,7S)-2-Méthoxy-3,4a,6,8-tétraméthyl-7-[(2E)-5-méthyl-2-hexén-2-yl]-4a,7-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(1E)-1,4-dimethyl-1-penten-1-yl]-4a,7-dihydro-2-methoxy-3,4a,6,8-tetramethyl-, (4aS,7S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 433.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 208.0±15.1 °C
Index of Refraction: 1.519
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8883.03
ACD/KOC (pH 5.5): 23332.97
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8883.03
ACD/KOC (pH 7.4): 23332.97
Polar Surface Area: 36 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 35.3±5.0 dyne/cm
Molar Volume: 319.4±5.0 cm3

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