Found 1 result

Search term: 27024794 (Found by CSID)
ChemSpider 2D Image | (+)-methyl sydowate | C16H22O4

(+)-methyl sydowate

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID27024794

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-methyl sydowate
3-Hydroxy-4-[(2R)-2,6,6-triméthyltétrahydro-2H-pyran-2-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-4-[(2R)-tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl]-, methyl ester [ACD/Index Name]
Methyl 3-hydroxy-4-[(2R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]benzoate [ACD/IUPAC Name]
Methyl-3-hydroxy-4-[(2R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]benzoat [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: 399.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 141.4±21.4 °C
Index of Refraction: 1.514
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.50
ACD/KOC (pH 5.5): 2560.67
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 393.73
ACD/KOC (pH 7.4): 2486.34
Polar Surface Area: 56 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 254.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement