ChemSpider 2D Image | Methyl Cedryl Ketone | C17H28O

Methyl Cedryl Ketone

  • Molecular FormulaC17H28O
  • Average mass248.404 Da
  • Monoisotopic mass248.214020 Da
  • ChemSpider ID30782598

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[(1S,2R,5S,7R,8R)-2,6,6,8-Tetramethyltricyclo[5.3.1.01,5]undec-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1S,2R,5S,7R,8R)-2,6,6,8-Tetramethyltricyclo[5.3.1.01,5]undec-2-yl]ethanone [ACD/IUPAC Name]
1-[(1S,2R,5S,7R,8R)-2,6,6,8-Tétraméthyltricyclo[5.3.1.01,5]undéc-2-yl]éthanone [French] [ACD/IUPAC Name]
73398-84-2 [RN]
Ethanone, 1-[(3R,3aS,6R,7R,8aS)-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-3-yl]- [ACD/Index Name]
Methyl Cedryl Ketone
[32388-55-9] [RN]
1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone
32388-55-9 [RN]
MFCD00792860 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 312.3±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 157.6±6.7 °C
Index of Refraction: 1.504
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2849.46
ACD/KOC (pH 5.5): 10339.85
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2849.46
ACD/KOC (pH 7.4): 10339.85
Polar Surface Area: 17 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 252.4±5.0 cm3

Click to predict properties on the Chemicalize site


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