ChemSpider 2D Image | (1R,5S,8E,12S,13S,16S)-5,12-Dihydroxy-8,12,16-trimethyl-4-methylene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one | C20H32O4

(1R,5S,8E,12S,13S,16S)-5,12-Dihydroxy-8,12,16-trimethyl-4-methylene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID40256865

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,5S,8E,12S,13S,16S)-5,12-Dihydroxy-8,12,16-trimethyl-4-methylen-14-oxabicyclo[11.3.1]heptadec-8-en-15-on [German] [ACD/IUPAC Name]
(1R,5S,8E,12S,13S,16S)-5,12-Dihydroxy-8,12,16-trimethyl-4-methylene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one [ACD/IUPAC Name]
(1R,5S,8E,12S,13S,16S)-5,12-Dihydroxy-8,12,16-triméthyl-4-méthylène-14-oxabicyclo[11.3.1]heptadéc-8-én-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.3.1]heptadec-8-en-15-one, 5,12-dihydroxy-8,12,16-trimethyl-4-methylene-, (1R,5S,8E,12S,13S,16S)- [ACD/Index 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: 510.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 175.4±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.53
ACD/KOC (pH 5.5): 1962.29
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.53
ACD/KOC (pH 7.4): 1962.29
Polar Surface Area: 67 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 309.0±5.0 cm3

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