ChemSpider 2D Image | 1-BENZYL 4-TERT-BUTYL (2R)-2-BENZYLBUTANEDIOATE | C22H26O4

1-BENZYL 4-TERT-BUTYL (2R)-2-BENZYLBUTANEDIOATE

  • Molecular FormulaC22H26O4
  • Average mass354.439 Da
  • Monoisotopic mass354.183105 Da
  • ChemSpider ID18616138

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Benzylsuccinate de 1-benzyle et de 4-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
116129-88-5 [RN]
1-Benzyl 4-(2-methyl-2-propanyl) (2R)-2-benzylsuccinate [ACD/IUPAC Name]
1-BENZYL 4-TERT-BUTYL (2R)-2-BENZYLBUTANEDIOATE
1-Benzyl-4-(2-methyl-2-propanyl)-(2R)-2-benzylsuccinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2-(phenylmethyl)-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)- [ACD/Index Name]
(R)-1-Benzyl 4-tert-butyl 2-benzylsuccinate
(R)-2-BENZYL-SUCCINIC ACID 1-BENZYL ESTER 4-TERT-BUTYL ESTER
(R)-2-BENZYL-SUCCINIC ACID-1-BENZYL ESTER 4-TERT-BUTYL ESTER
(R)-2-BENZYL-SUCCINICACID1-BENZYLESTER4-TERT-BUTYLESTER

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 224.6±23.8 °C
Index of Refraction: 1.538
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3138.99
ACD/KOC (pH 5.5): 11081.48
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3138.99
ACD/KOC (pH 7.4): 11081.48
Polar Surface Area: 53 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

Click to predict properties on the Chemicalize site


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