ChemSpider 2D Image | (1S,2R,3S,7R,8R,10S)-3,10-Dihydroxy-3,5,6,8,10,12-hexamethyltricyclo[6.2.2.0~2,7~]dodeca-5,11-diene-4,9-dione | C18H24O4

(1S,2R,3S,7R,8R,10S)-3,10-Dihydroxy-3,5,6,8,10,12-hexamethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

  • Molecular FormulaC18H24O4
  • Average mass304.381 Da
  • Monoisotopic mass304.167450 Da
  • ChemSpider ID30658835

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3S,7R,8R,10S)-3,10-Dihydroxy-3,5,6,8,10,12-hexamethyltricyclo[6.2.2.02,7]dodeca-5,11-dien-4,9-dion [German] [ACD/IUPAC Name]
(1S,2R,3S,7R,8R,10S)-3,10-Dihydroxy-3,5,6,8,10,12-hexamethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione [ACD/IUPAC Name]
(1S,2R,3S,7R,8R,10S)-3,10-Dihydroxy-3,5,6,8,10,12-hexaméthyltricyclo[6.2.2.02,7]dodéca-5,11-diène-4,9-dione [French] [ACD/IUPAC Name]
1,4-Ethanonaphthalene-6,10(4H)-dione, 1,4a,5,8a-tetrahydro-5,9-dihydroxy-1,2,5,7,8,9-hexamethyl-, (1R,4S,4aR,5S,8aR,9S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 254.0±25.2 °C
Index of Refraction: 1.559
Molar Refractivity: 82.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.85
ACD/KOC (pH 5.5): 477.89
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.85
ACD/KOC (pH 7.4): 477.88
Polar Surface Area: 75 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 254.0±3.0 cm3

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