ChemSpider 2D Image | (2S,5R,6R,9R)-2,9,11,11-Tetramethyltricyclo[4.3.2.0~1,5~]undecan-3-one | C15H24O

(2S,5R,6R,9R)-2,9,11,11-Tetramethyltricyclo[4.3.2.01,5]undecan-3-one

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID24846749

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S,5R,6R,9R)-2,9,11,11-Tetramethyltricyclo[4.3.2.01,5]undecan-3-on [German] [ACD/IUPAC Name]
(2S,5R,6R,9R)-2,9,11,11-Tetramethyltricyclo[4.3.2.01,5]undecan-3-one [ACD/IUPAC Name]
(2S,5R,6R,9R)-2,9,11,11-Tétraméthyltricyclo[4.3.2.01,5]undécan-3-one [French] [ACD/IUPAC Name]
3a,7-Ethano-3aH-inden-2(3H)-one, hexahydro-3,4,8,8-tetramethyl-, (3S,4R,7R,7aR)- [ACD/Index Name]
Suberosanone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 291.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 122.5±10.7 °C
Index of Refraction: 1.506
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 543.57
ACD/KOC (pH 5.5): 3158.64
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.57
ACD/KOC (pH 7.4): 3158.64
Polar Surface Area: 17 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 220.0±5.0 cm3

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