ChemSpider 2D Image | 3,5-Cycloergosta-6,8(14),22-triene | C28H42

3,5-Cycloergosta-6,8(14),22-triene

  • Molecular FormulaC28H42
  • Average mass378.633 Da
  • Monoisotopic mass378.328644 Da
  • ChemSpider ID28536567

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(22E)-3,5-Cycloergosta-6,8(14),22-trien [German] [ACD/IUPAC Name]
(22E)-3,5-Cycloergosta-6,8(14),22-triene [ACD/IUPAC Name]
(22E)-3,5-Cycloergosta-6,8(14),22-triène [French] [ACD/IUPAC Name]
24352-51-0 [RN]
3,5-Cycloergosta-6,8(14),22-triene [ACD/Index Name] [ACD/IUPAC Name]
3,5-Cycloergosta-6,8(14),22-triene, (22E)- [ACD/Index Name]
[24352-51-0] [RN]
MFCD02685590 [MDL number]
MFCD23135583 [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: 468.3±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 70.2±0.8 kJ/mol
Flash Point: 230.1±14.4 °C
Index of Refraction: 1.552
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 9.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3721371.50
ACD/LogD (pH 7.4): 9.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3721371.50
Polar Surface Area: 0 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 377.8±5.0 cm3

Click to predict properties on the Chemicalize site


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