ChemSpider 2D Image | 4-(1-{7-Hydroxy-3,5,5-trimethyl-8,8-bis[(~2~H_3_)methyl]-5,6,7,8-tetrahydro-2-naphthalenyl}vinyl)benzoic acid | C24H22D6O3

4-(1-{7-Hydroxy-3,5,5-trimethyl-8,8-bis[(2H3)methyl]-5,6,7,8-tetrahydro-2-naphthalenyl}vinyl)benzoic acid

  • Molecular FormulaC24H22D6O3
  • Average mass370.514 Da
  • Monoisotopic mass370.241516 Da
  • ChemSpider ID58783858

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(1-{7-Hydroxy-3,5,5-trimethyl-8,8-bis[(2H3)methyl]-5,6,7,8-tetrahydro-2-naphthalenyl}vinyl)benzoic acid [ACD/IUPAC Name]
4-(1-{7-Hydroxy-3,5,5-trimethyl-8,8-bis[(2H3)methyl]-5,6,7,8-tetrahydro-2-naphthalinyl}vinyl)benzoesäure [German] [ACD/IUPAC Name]
Acide 4-(1-{7-hydroxy-3,5,5-triméthyl-8,8-bis[(2H3)méthyl]-5,6,7,8-tétrahydro-2-naphtalényl}vinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[5,6,7,8-tetrahydro-7-hydroxy-3,5,5-trimethyl-8,8-di(methyl-d3)-2-naphthalenyl]ethenyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 287.0±26.6 °C
Index of Refraction: 1.572
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 1765.49
ACD/KOC (pH 5.5): 2867.14
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 56.74
ACD/KOC (pH 7.4): 92.15
Polar Surface Area: 58 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 331.3±3.0 cm3

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