ChemSpider 2D Image | (-)-stiripentol | C14H18O3

(-)-stiripentol

  • Molecular FormulaC14H18O3
  • Average mass234.291 Da
  • Monoisotopic mass234.125595 Da
  • ChemSpider ID32796771

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-stiripentol
(1E,3S)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol [German] [ACD/IUPAC Name]
(1E,3S)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol [ACD/IUPAC Name]
(1E,3S)-1-(1,3-Benzodioxol-5-yl)-4,4-diméthyl-1-pentén-3-ol [French] [ACD/IUPAC Name]
144017-66-3 [RN]
1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-, (1E,3S)- [ACD/Index Name]
(S)-Stiripentol
STIRIPENTOL, (-)-

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

7XF286F3TA [DBID]
UNII:7XF286F3TA [DBID]
UNII-7XF286F3TA [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 365.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.8±19.3 °C
Index of Refraction: 1.579
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.43
ACD/KOC (pH 5.5): 797.30
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.43
ACD/KOC (pH 7.4): 797.30
Polar Surface Area: 39 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

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