ChemSpider 2D Image | 3-[11-(Bicyclo[2.2.1]hept-2-yl)undecyl]-3-hydroxypentanedioic acid | C23H40O5

3-[11-(Bicyclo[2.2.1]hept-2-yl)undecyl]-3-hydroxypentanedioic acid

  • Molecular FormulaC23H40O5
  • Average mass396.561 Da
  • Monoisotopic mass396.287567 Da
  • ChemSpider ID28690105

More details:

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

3-[11-(Bicyclo[2.2.1]hept-2-yl)undecyl]-3-hydroxypentandisäure [German] [ACD/IUPAC Name]
3-[11-(Bicyclo[2.2.1]hept-2-yl)undecyl]-3-hydroxypentanedioic acid [ACD/IUPAC Name]
Acide 3-[11-(bicyclo[2.2.1]hept-2-yl)undécyl]-3-hydroxypentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-(11-bicyclo[2.2.1]hept-2-ylundecyl)-3-hydroxy- [ACD/Index Name]
3-(11-{BICYCLO[2.2.1]HEPTAN-2-YL}UNDECYL)-3-HYDROXYPENTANEDIOIC ACID
3-[11-(Bicyclo[2.2.1]heptan-2-yl)undecyl]-3-hydroxypentanedioic acid
88444-08-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 302.9±23.8 °C
Index of Refraction: 1.517
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 7.39
ACD/KOC (pH 5.5): 23.27
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 360.7±3.0 cm3

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