Found 4 results

Search term: VLFQGDGCZKMBDA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{(S)-Hydroxy[(3S,6R)-6-isopropenyl-3-methyl-3-vinyltetrahydro-2H-pyran-2-yl]methyl}phenol | C18H24O3

4-{(S)-Hydroxy[(3S,6R)-6-isopropenyl-3-methyl-3-vinyltetrahydro-2H-pyran-2-yl]methyl}phenol

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID113609838

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2H-Pyran-2-methanol, 3-ethenyltetrahydro-α-(4-hydroxyphenyl)-3-methyl-6-(1-methylethenyl)-, (αS,3S,6R)- [ACD/Index Name]
4-{(S)-Hydroxy[(3S,6R)-6-isopropenyl-3-methyl-3-vinyltetrahydro-2H-pyran-2-yl]methyl}phenol [German] [ACD/IUPAC Name]
4-{(S)-Hydroxy[(3S,6R)-6-isopropenyl-3-methyl-3-vinyltetrahydro-2H-pyran-2-yl]methyl}phenol [ACD/IUPAC Name]
4-{(S)-Hydroxy[(3S,6R)-6-isopropényl-3-méthyl-3-vinyltétrahydro-2H-pyran-2-yl]méthyl}phénol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 436.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 217.7±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.23
ACD/KOC (pH 5.5): 1616.56
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.61
ACD/KOC (pH 7.4): 1611.83
Polar Surface Area: 50 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 257.3±3.0 cm3

Click to predict properties on the Chemicalize site


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