ChemSpider 2D Image | (4E,8E,10E,13R)-11-(Hydroxymethyl)-8-isopropyl-5-methyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8,10-tetraen-15-one | C20H28O3

(4E,8E,10E,13R)-11-(Hydroxymethyl)-8-isopropyl-5-methyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8,10-tetraen-15-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID40256731

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4E,8E,10E,13R)-11-(Hydroxymethyl)-8-isopropyl-5-methyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8,10-tetraen-15-on [German] [ACD/IUPAC Name]
(4E,8E,10E,13R)-11-(Hydroxymethyl)-8-isopropyl-5-methyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8,10-tetraen-15-one [ACD/IUPAC Name]
(4E,8E,10E,13R)-11-(Hydroxyméthyl)-8-isopropyl-5-méthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),4,8,10-tétraén-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),4,8,10-tetraen-15-one, 11-(hydroxymethyl)-5-methyl-8-(1-methylethyl)-, (4E,8E,10E,13R)- [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: 523.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.7±6.0 kJ/mol
Flash Point: 213.8±22.9 °C
Index of Refraction: 1.542
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1888.98
ACD/KOC (pH 5.5): 7704.09
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1888.98
ACD/KOC (pH 7.4): 7704.09
Polar Surface Area: 47 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

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