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Search term: IYYVHOZPAIIDIY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}-5-methylbenzoic acid | C14H21BO5

3-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}-5-methylbenzoic acid

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID25949775

More details:






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

3-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}-5-methylbenzoesäure [German] [ACD/IUPAC Name]
3-{Hydroxy[(3-hydroxy-2,3-dimethyl-2-butanyl)oxy]boryl}-5-methylbenzoic acid [ACD/IUPAC Name]
Acide 3-{hydroxy[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]boryl}-5-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[hydroxy(2-hydroxy-1,1,2-trimethylpropoxy)boryl]-5-methyl- [ACD/Index Name]
1150561-67-3 [RN]
3-Carboxy-5-methylphenylboronic acid, pinacol ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 454.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 228.8±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 38.57
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 239.0±5.0 cm3

Click to predict properties on the Chemicalize site






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