ChemSpider 2D Image | Zederone | C15H18O3

Zederone

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID81368200

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1aR,4E,10aR)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-on [German] [ACD/IUPAC Name]
(1aR,4E,10aR)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one [ACD/IUPAC Name]
(1aR,4E,10aR)-1a,5,9-Triméthyl-1a,3,6,10a-tétrahydrooxiréno[4,5]cyclodéca[1,2-b]furan-10(2H)-one [French] [ACD/IUPAC Name]
7727-79-9 [RN]
Oxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one, 1a,3,6,10a-tetrahydro-1a,5,9-trimethyl-, (1aR,4E,10aR)- [ACD/Index Name]
Zederone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 365.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 174.7±27.9 °C
Index of Refraction: 1.528
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.31
ACD/KOC (pH 5.5): 1935.96
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.31
ACD/KOC (pH 7.4): 1935.96
Polar Surface Area: 43 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 218.6±3.0 cm3

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