Found 1 result

Search term: 108664-98-8 (Found by approved synonym)
ChemSpider 2D Image | MFCD00214108 | C19H24O2

MFCD00214108

  • Molecular FormulaC19H24O2
  • Average mass284.393 Da
  • Monoisotopic mass284.177643 Da
  • ChemSpider ID28295816

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4S,12S,13R,16S)-12-Methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-on [German] [ACD/IUPAC Name]
(1R,4S,12S,13R,16S)-12-Methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-one [ACD/IUPAC Name]
(1R,4S,12S,13R,16S)-12-Méthyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadéca-5(9),6-dién-17-one [French] [ACD/IUPAC Name]
108664-98-8 [RN]
16-Oxocafestol
MFCD00214108

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 201.5±21.4 °C
Index of Refraction: 1.580
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1259.56
ACD/KOC (pH 5.5): 5764.16
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1259.56
ACD/KOC (pH 7.4): 5764.16
Polar Surface Area: 30 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 242.0±5.0 cm3

Click to predict properties on the Chemicalize site


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