ChemSpider 2D Image | (1Z,9R,10E,12S)-5,9-Dihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-diene-6,14-dione | C20H30O5

(1Z,9R,10E,12S)-5,9-Dihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-diene-6,14-dione

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID35517127

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z,9R,10E,12S)-5,9-Dihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-dien-6,14-dion [German] [ACD/IUPAC Name]
(1Z,9R,10E,12S)-5,9-Dihydroxy-12-isopropyl-5,9-dimethyl-13-oxabicyclo[10.2.2]hexadeca-1,10-diene-6,14-dione [ACD/IUPAC Name]
(1Z,9R,10E,12S)-5,9-Dihydroxy-12-isopropyl-5,9-diméthyl-13-oxabicyclo[10.2.2]hexadéca-1,10-diène-6,14-dione [French] [ACD/IUPAC Name]
13-Oxabicyclo[10.2.2]hexadeca-1,10-diene-6,14-dione, 5,9-dihydroxy-5,9-dimethyl-12-(1-methylethyl)-, (1Z,9R,10E,12S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 190.7±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.19
ACD/KOC (pH 5.5): 309.69
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.19
ACD/KOC (pH 7.4): 309.69
Polar Surface Area: 84 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 303.0±5.0 cm3

Click to predict properties on the Chemicalize site


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