ChemSpider 2D Image | Ethyl (3S)-3-(2-naphthyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate | C22H29BO4

Ethyl (3S)-3-(2-naphthyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

  • Molecular FormulaC22H29BO4
  • Average mass368.274 Da
  • Monoisotopic mass368.215881 Da
  • ChemSpider ID30660122

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(2-Naphtyl)-3-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)butanoate d'éthyle [French] [ACD/IUPAC Name]
1,3,2-Dioxaborolane-2-propanoic acid, β,4,4,5,5-pentamethyl-β-2-naphthalenyl-, ethyl ester, (βS)- [ACD/Index Name]
Ethyl (3S)-3-(2-naphthyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-(2-naphthyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoat [German] [ACD/IUPAC 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: 461.4±38.0 °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: 232.8±26.8 °C
Index of Refraction: 1.541
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 45 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 339.5±5.0 cm3

Click to predict properties on the Chemicalize site


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