ChemSpider 2D Image | 5,5'-DI-TERT-BUTYL-2,2'-DIHYDROXY-3-HYDROXYMETHYL DIBENZYL ETHER | C23H32O4

5,5'-DI-TERT-BUTYL-2,2'-DIHYDROXY-3-HYDROXYMETHYL DIBENZYL ETHER

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID32701220

More details:

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

2-(Hydroxymethyl)-6-({[2-hydroxy-5-(2-methyl-2-propanyl)benzyl]oxy}methyl)-4-(2-methyl-2-propanyl)phenol [ACD/IUPAC Name]
2-(Hydroxymethyl)-6-({[2-hydroxy-5-(2-methyl-2-propanyl)benzyl]oxy}methyl)-4-(2-methyl-2-propanyl)phenol [German] [ACD/IUPAC Name]
2-(Hydroxyméthyl)-6-({[2-hydroxy-5-(2-méthyl-2-propanyl)benzyl]oxy}méthyl)-4-(2-méthyl-2-propanyl)phénol [French] [ACD/IUPAC Name]
316355-46-1 [RN]
5,5'-DI-TERT-BUTYL-2,2'-DIHYDROXY-3-HYDROXYMETHYL DIBENZYL ETHER
Benzenemethanol, 5-(1,1-dimethylethyl)-3-[[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methoxy]methyl]-2-hydroxy- [ACD/Index Name]

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

UQR8620876 [DBID]
UNII:UQR8620876 [DBID]
UNII-UQR8620876 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.1±27.3 °C
Index of Refraction: 1.568
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2661.73
ACD/KOC (pH 5.5): 9847.26
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2640.98
ACD/KOC (pH 7.4): 9770.52
Polar Surface Area: 70 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 333.4±3.0 cm3

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