Found 10 results

Search term: TXIKNNOOLCGADE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Zedoarondiol | C15H24O3

Zedoarondiol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID21244594

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3aR,4S,8aS)-1,4-Dihydroxy-7-isopropyliden-1,4-dimethyloctahydro-6(1H)-azulenon [German] [ACD/IUPAC Name]
(1R,3aR,4S,8aS)-1,4-Dihydroxy-7-isopropylidene-1,4-dimethyloctahydro-6(1H)-azulenone [ACD/IUPAC Name]
(1R,3aR,4S,8aS)-1,4-Dihydroxy-7-isopropylidène-1,4-diméthyloctahydro-6(1H)-azulénone [French] [ACD/IUPAC Name]
6(1H)-Azulenone, octahydro-1,4-dihydroxy-1,4-dimethyl-7-(1-methylethylidene)-, (1R,3aR,4S,8aS)- [ACD/Index Name]
98644-24-7 [RN]
Zedoarondiol
(1R,?3aR,?4S,?8aS)?-octahydro-?1,?4-?dihydroxy-?1,?4-?dimethyl-?7-?(1-?methylethylidene)?-6(1H)?-?Azulenone
(3R,3aS,8S,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
4,10-Epizedoarondiol
MFCD03792721

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 396.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±6.0 kJ/mol
    Flash Point: 207.9±24.4 °C
    Index of Refraction: 1.529
    Molar Refractivity: 70.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.89
    ACD/KOC (pH 5.5): 396.12
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.89
    ACD/KOC (pH 7.4): 396.12
    Polar Surface Area: 58 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 227.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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