ChemSpider 2D Image | (1R,8R)-1,8-Dihydroxy-14,14-dimethylbicyclo[7.4.1]tetradeca-4,9-diene-2,6-diyn-11-one | C16H16O3

(1R,8R)-1,8-Dihydroxy-14,14-dimethylbicyclo[7.4.1]tetradeca-4,9-diene-2,6-diyn-11-one

  • Molecular FormulaC16H16O3
  • Average mass256.296 Da
  • Monoisotopic mass256.109955 Da
  • ChemSpider ID23120798

  • 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

(1R,8R)-1,8-Dihydroxy-14,14-dimethylbicyclo[7.4.1]tetradeca-4,9-dien-2,6-diin-11-on [German] [ACD/IUPAC Name]
(1R,8R)-1,8-Dihydroxy-14,14-dimethylbicyclo[7.4.1]tetradeca-4,9-diene-2,6-diyn-11-one [ACD/IUPAC Name]
(1R,8R)-1,8-Dihydroxy-14,14-diméthylbicyclo[7.4.1]tétradéca-4,9-diène-2,6-diyn-11-one [French] [ACD/IUPAC Name]
Bicyclo[7.4.1]tetradeca-4,9-diene-2,6-diyn-11-one, 1,8-dihydroxy-14,14-dimethyl-, (1R,8R)- [ACD/Index Name]
(Z)-(1R,8R)-1,8-Dihydroxy-14,14-dimethyl-bicyclo[7.4.1]tetradeca-4,9-diene-2,6-diyn-11-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278531/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 252.1±25.2 °C
Index of Refraction: 1.622
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.73
ACD/KOC (pH 5.5): 537.02
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.73
ACD/KOC (pH 7.4): 536.96
Polar Surface Area: 58 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 201.3±5.0 cm3

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