ChemSpider 2D Image | (3S)-9,10-Secocholesta-5(10),6,8-trien-3-ol | C27H44O

(3S)-9,10-Secocholesta-5(10),6,8-trien-3-ol

  • Molecular FormulaC27H44O
  • Average mass384.638 Da
  • Monoisotopic mass384.339203 Da
  • ChemSpider ID21160556
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3S)-9,10-Secocholesta-5(10),6,8-trien-3-ol [ACD/IUPAC Name]
(3S)-9,10-Secocholesta-5(10),6,8-trien-3-ol [German] [ACD/IUPAC Name]
(3S)-9,10-Sécocholesta-5(10),6,8-trién-3-ol [French] [ACD/IUPAC Name]
1173-13-3 [RN]
17592-07-3 [RN]
214-634-2 [EINECS]
241-561-3 [EINECS]
3-Cyclohexen-1-ol, 3-[2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-2,3,3a,6,7,7a-hexahydro-7a-methyl-1H-inden-4-yl]ethenyl]-4-methyl-, (1S)- [ACD/Index Name]
(3β,6E)-9,10-secocholesta-5(10),6,8-trien-3-ol
(3β,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 496.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 214.1±15.1 °C
Index of Refraction: 1.576
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1331811.00
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1331811.00
Polar Surface Area: 20 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 378.1±3.0 cm3

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