ChemSpider 2D Image | (1S,2S,5S,6S,8S,10R,11S)-8,11-Dihydroxy-3,3,6,10-tetramethyl-12-oxatetracyclo[7.2.1.0~2,5~.0~6,11~]dodecan-7-one | C15H22O4

(1S,2S,5S,6S,8S,10R,11S)-8,11-Dihydroxy-3,3,6,10-tetramethyl-12-oxatetracyclo[7.2.1.02,5.06,11]dodecan-7-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID78438086

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,2S,5S,6S,8S,10R,11S)-8,11-Dihydroxy-3,3,6,10-tetramethyl-12-oxatetracyclo[7.2.1.02,5.06,11]dodecan-7-on [German] [ACD/IUPAC Name]
(1S,2S,5S,6S,8S,10R,11S)-8,11-Dihydroxy-3,3,6,10-tetramethyl-12-oxatetracyclo[7.2.1.02,5.06,11]dodecan-7-one [ACD/IUPAC Name]
(1S,2S,5S,6S,8S,10R,11S)-8,11-Dihydroxy-3,3,6,10-tétraméthyl-12-oxatétracyclo[7.2.1.02,5.06,11]dodécan-7-one [French] [ACD/IUPAC Name]
5,7-Epoxy-3H-cyclobut[a]inden-3-one, decahydro-4,6a-dihydroxy-1,1,2b,6-tetramethyl-, (2aS,2bS,4S,6R,6aS,7S,7aS)- [ACD/Index Name]
Fascicularone J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 412.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 153.0±22.2 °C
Index of Refraction: 1.580
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.50
ACD/KOC (pH 5.5): 147.19
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.50
ACD/KOC (pH 7.4): 147.19
Polar Surface Area: 67 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 205.4±3.0 cm3

Click to predict properties on the Chemicalize site


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