Found 1 result

Search term: LXRDUMOEMBGERG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,6S,8R,9R)-6-(3-Hydroxy-3-methylbutyl)-1,5,6-trimethyltricyclo[6.2.2.0~2,7~]dodec-2(7)-en-9-ol | C20H34O2

(1R,6S,8R,9R)-6-(3-Hydroxy-3-methylbutyl)-1,5,6-trimethyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-ol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID30651084

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,6S,8R,9R)-6-(3-Hydroxy-3-methylbutyl)-1,5,6-trimethyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-ol [German] [ACD/IUPAC Name]
(1R,6S,8R,9R)-6-(3-Hydroxy-3-methylbutyl)-1,5,6-trimethyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-ol [ACD/IUPAC Name]
(1R,6S,8R,9R)-6-(3-Hydroxy-3-méthylbutyl)-1,5,6-triméthyltricyclo[6.2.2.02,7]dodéc-2(7)-én-9-ol [French] [ACD/IUPAC Name]
1,4-Ethanonaphthalene-5-propanol, 1,2,3,4,5,6,7,8-octahydro-3-hydroxy-α,α,1,5,6-pentamethyl-, (1R,3R,4R,5S)- [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: 419.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±6.0 kJ/mol
Flash Point: 183.6±18.6 °C
Index of Refraction: 1.535
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3402.01
ACD/KOC (pH 5.5): 11738.46
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3402.01
ACD/KOC (pH 7.4): 11738.46
Polar Surface Area: 40 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 292.1±5.0 cm3

Click to predict properties on the Chemicalize site


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