ChemSpider 2D Image | (4R,5E,11aS)-4,9-Dihydroxy-6-methyl-3,10-bis(methylene)-3a,4,7,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one | C15H20O4

(4R,5E,11aS)-4,9-Dihydroxy-6-methyl-3,10-bis(methylene)-3a,4,7,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID114390421

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4R,5E,11aS)-4,9-Dihydroxy-6-methyl-3,10-bis(methylene)-3a,4,7,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(4R,5E,11aS)-4,9-Dihydroxy-6-methyl-3,10-dimethylen-3a,4,7,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(4R,5E,11aS)-4,9-Dihydroxy-6-méthyl-3,10-diméthylène-3a,4,7,8,9,10,11,11a-octahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 3a,4,7,8,9,10,11,11a-octahydro-4,9-dihydroxy-6-methyl-3,10-bis(methylene)-, (4R,5E,11aS)- [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: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 184.5±22.2 °C
Index of Refraction: 1.551
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.41
ACD/KOC (pH 5.5): 223.13
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.41
ACD/KOC (pH 7.4): 223.13
Polar Surface Area: 67 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

Click to predict properties on the Chemicalize site


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