ChemSpider 2D Image | (3aS,5R,6Z,10R,11R,11aS)-10-Chloro-5,11-dihydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one | C15H21ClO4

(3aS,5R,6Z,10R,11R,11aS)-10-Chloro-5,11-dihydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one

  • Molecular FormulaC15H21ClO4
  • Average mass300.778 Da
  • Monoisotopic mass300.112823 Da
  • ChemSpider ID30657135

  • 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

(3aS,5R,6Z,10R,11R,11aS)-10-Chlor-5,11-dihydroxy-6,10-dimethyl-3-methylen-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,5R,6Z,10R,11R,11aS)-10-Chloro-5,11-dihydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,5R,6Z,10R,11R,11aS)-10-Chloro-5,11-dihydroxy-6,10-diméthyl-3-méthylène-3a,4,5,8,9,10,11,11a-octahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 10-chloro-3a,4,5,8,9,10,11,11a-octahydro-5,11-dihydroxy-6,10-dimethyl-3-methylene-, (3aS,5R,6Z,10R,11R,11aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.80
ACD/KOC (pH 5.5): 305.60
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.80
ACD/KOC (pH 7.4): 305.60
Polar Surface Area: 67 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 239.2±5.0 cm3

Click to predict properties on the Chemicalize site


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