ChemSpider 2D Image | (1S,4S,8S) Carreira DOLEFIN Ligand | C22H30O

(1S,4S,8S) Carreira DOLEFIN Ligand

  • Molecular FormulaC22H30O
  • Average mass310.473 Da
  • Monoisotopic mass310.229675 Da
  • ChemSpider ID22905966

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,4S,8S) Carreira DOLEFIN Ligand
(1S,4S,8S)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethyl-2-bicyclo[2.2.2]octa-2,5-diene
(1S,4S,8S)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethylbicyclo[2.2.2]octa-2,5-dien [German] [ACD/IUPAC Name]
(1S,4S,8S)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethylbicyclo[2.2.2]octa-2,5-diene [ACD/IUPAC Name]
(1S,4S,8S)-5-Benzyl-2-isobutyl-8-méthoxy-1,8-diméthylbicyclo[2.2.2]octa-2,5-diène [French] [ACD/IUPAC Name]
(1S,4S,8S)--5-Benzyl-8-methoxy-1,8-dimethyl-2-(2'-methylpropyl)-bicyclo[2.2.2]octa-2,5-diene
862499-50-1 [RN]
Bicyclo[2.2.2]octa-2,5-diene, 8-methoxy-1,8-dimethyl-2-(2-methylpropyl)-5-(phenylmethyl)-, (1S,4S,8S)- [ACD/Index Name]
MFCD09265063 [MDL number]
(1S,4S,8S)--5-Benzyl-8-methoxy-1,8-dimethyl-2- (2?-methylpropyl)-bicyclo[2.2.2]octa-2,5-diene
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 392.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 189.2±23.6 °C
    Index of Refraction: 1.546
    Molar Refractivity: 97.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.84
    ACD/LogD (pH 5.5): 6.44
    ACD/BCF (pH 5.5): 45881.16
    ACD/KOC (pH 5.5): 75575.38
    ACD/LogD (pH 7.4): 6.44
    ACD/BCF (pH 7.4): 45881.16
    ACD/KOC (pH 7.4): 75575.38
    Polar Surface Area: 9 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 37.1±5.0 dyne/cm
    Molar Volume: 308.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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