ChemSpider 2D Image | (4aR,8aS)-6-[(2E,4E)-6-Hydroxy-6-methyl-2,4-heptadien-2-yl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone | C20H30O2

(4aR,8aS)-6-[(2E,4E)-6-Hydroxy-6-methyl-2,4-heptadien-2-yl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID23326420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4aR,8aS)-6-[(2E,4E)-6-Hydroxy-6-méthyl-2,4-heptadién-2-yl]-4,8a-diméthyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR,8aS)-6-[(2E,4E)-6-Hydroxy-6-methyl-2,4-heptadien-2-yl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aR,8aS)-6-[(2E,4E)-6-Hydroxy-6-methyl-2,4-heptadien-2-yl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-[(1E,3E)-5-hydroxy-1,5-dimethyl-1,3-hexadien-1-yl]-4,8a-dimethyl-, (4aR,8aS)- [ACD/Index Name]
(4aR,8aS)-6-[(2E,4E)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
Dysokusone E
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488804/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 433.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 184.8±21.3 °C
Index of Refraction: 1.526
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1677.06
ACD/KOC (pH 5.5): 7075.06
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1677.06
ACD/KOC (pH 7.4): 7075.06
Polar Surface Area: 37 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 298.7±3.0 cm3

Click to predict properties on the Chemicalize site


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