ChemSpider 2D Image | (1S,8R)-2,2,7,7-Tetramethyltricyclo[6.2.1.0~1,6~]undecan-5-one | C15H24O

(1S,8R)-2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undecan-5-one

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID26563572

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,8R)-2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undecan-5-on [German] [ACD/IUPAC Name]
(1S,8R)-2,2,7,7-Tetramethyltricyclo[6.2.1.01,6]undecan-5-one [ACD/IUPAC Name]
(1S,8R)-2,2,7,7-Tétraméthyltricyclo[6.2.1.01,6]undécan-5-one [French] [ACD/IUPAC Name]
2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2R,4aS)- [ACD/Index Name]
(2S,4aS)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
23787-90-8 [RN]
29461-14-1 [RN]
Isolongifolanone
MFCD00169838 [MDL number]
rel-(2S,4aS)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 286.8±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 119.7±10.7 °C
    Index of Refraction: 1.509
    Molar Refractivity: 65.5±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 4.20
    ACD/LogD (pH 5.5): 4.09
    ACD/BCF (pH 5.5): 753.01
    ACD/KOC (pH 5.5): 3988.54
    ACD/LogD (pH 7.4): 4.09
    ACD/BCF (pH 7.4): 753.01
    ACD/KOC (pH 7.4): 3988.54
    Polar Surface Area: 17 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 34.8±5.0 dyne/cm
    Molar Volume: 219.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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