ChemSpider 2D Image | 3,3'-(1R)-Tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis(6-methoxybenzoic acid) | C26H28O6

3,3'-(1R)-Tricyclo[3.3.1.13,7]decane-1,3-diylbis(6-methoxybenzoic acid)

  • Molecular FormulaC26H28O6
  • Average mass436.497 Da
  • Monoisotopic mass436.188599 Da
  • ChemSpider ID81423875

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,3'-(1R)-Tricyclo[3.3.1.13,7]decan-1,3-diylbis(6-methoxybenzoesäure) [German] [ACD/IUPAC Name]
3,3'-(1R)-Tricyclo[3.3.1.13,7]decane-1,3-diylbis(6-methoxybenzoic acid) [ACD/IUPAC Name]
Acide 3,3'-(1R)-tricyclo[3.3.1.13,7]décane-1,3-diylbis(6-méthoxybenzoïque) [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-(1R)-tricyclo[3.3.1.13,7]decane-1,3-diylbis[6-methoxy- [ACD/Index Name]
1211483-87-2 [RN]
3,3'-TRicyclo[3.3.1.1(3,7)]decane-1,3-diylbis(6-methoxybenzoic acid)
MFCD13704573 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 216.5±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 14.54
ACD/KOC (pH 5.5): 39.31
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 93 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 330.4±3.0 cm3

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