ChemSpider 2D Image | (1R,1'S,2'S,6'R,8'S)-8'-Hydroxy-2,2-dimethoxy-3',5',10'-trioxaspiro[cyclohexane-1,4'-tricyclo[6.2.1.0~2,6~]undecan]-9'-one | C15H22O7

(1R,1'S,2'S,6'R,8'S)-8'-Hydroxy-2,2-dimethoxy-3',5',10'-trioxaspiro[cyclohexane-1,4'-tricyclo[6.2.1.02,6]undecan]-9'-one

  • Molecular FormulaC15H22O7
  • Average mass314.331 Da
  • Monoisotopic mass314.136566 Da
  • ChemSpider ID30653845

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,1'S,2'S,6'R,8'S)-8'-Hydroxy-2,2-dimethoxy-3',5',10'-trioxaspiro[cyclohexane-1,4'-tricyclo[6.2.1.02,6]undecan]-9'-one [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 176.2±22.2 °C
Index of Refraction: 1.556
Molar Refractivity: 73.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.14
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.14
Polar Surface Area: 83 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 229.2±5.0 cm3

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