ChemSpider 2D Image | (4R,6E,8S,10S,12S)-5-Hydroxy-4,6,8,10,12-pentamethyl-6-pentadecen-3-one | C20H38O2

(4R,6E,8S,10S,12S)-5-Hydroxy-4,6,8,10,12-pentamethyl-6-pentadecen-3-one

  • Molecular FormulaC20H38O2
  • Average mass310.514 Da
  • Monoisotopic mass310.287170 Da
  • ChemSpider ID74109945

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4R,6E,8S,10S,12S)-5-Hydroxy-4,6,8,10,12-pentamethyl-6-pentadecen-3-on [German] [ACD/IUPAC Name]
(4R,6E,8S,10S,12S)-5-Hydroxy-4,6,8,10,12-pentamethyl-6-pentadecen-3-one [ACD/IUPAC Name]
(4R,6E,8S,10S,12S)-5-Hydroxy-4,6,8,10,12-pentaméthyl-6-pentadécén-3-one [French] [ACD/IUPAC Name]
6-Pentadecen-3-one, 5-hydroxy-4,6,8,10,12-pentamethyl-, (4R,6E,8S,10S,12S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 412.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 176.0±15.8 °C
Index of Refraction: 1.463
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18979.74
ACD/KOC (pH 5.5): 40177.86
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18979.74
ACD/KOC (pH 7.4): 40177.86
Polar Surface Area: 37 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

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