ChemSpider 2D Image | (1'R,2'S,4R,4'R,9'S,10'S,13'S)-2'-Hydroxy-2,2,5',5',9'-pentamethyl-3'H-spiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan]-3'-one | C23H36O4

(1'R,2'S,4R,4'R,9'S,10'S,13'S)-2'-Hydroxy-2,2,5',5',9'-pentamethyl-3'H-spiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecan]-3'-one

  • Molecular FormulaC23H36O4
  • Average mass376.530 Da
  • Monoisotopic mass376.261353 Da
  • ChemSpider ID24639788

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'R,2'S,4R,4'R,9'S,10'S,13'S)-2'-Hydroxy-2,2,5',5',9'-pentamethyl-3'H-spiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecan]-3'-one [ACD/IUPAC 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: 490.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 162.8±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 508.72
ACD/KOC (pH 5.5): 3012.30
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 508.71
ACD/KOC (pH 7.4): 3012.29
Polar Surface Area: 56 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 323.1±5.0 cm3

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