ChemSpider 2D Image | 8-[(2S)-3-Ethoxy-2-hydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-one | C17H22O5

8-[(2S)-3-Ethoxy-2-hydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-one

  • Molecular FormulaC17H22O5
  • Average mass306.354 Da
  • Monoisotopic mass306.146729 Da
  • ChemSpider ID28424358

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 8-[(2S)-3-ethoxy-2-hydroxy-3-methylbutyl]-7-methoxy- [ACD/Index Name]
8-[(2S)-3-Ethoxy-2-hydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-[(2S)-3-Ethoxy-2-hydroxy-3-methylbutyl]-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
8-[(2S)-3-Éthoxy-2-hydroxy-3-méthylbutyl]-7-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
(S)-Yuehgesin C
125072-68-6 [RN]
8-(3-Ethoxy-2-hydroxy-3-methylbutyl)-7-methoxycoumarin
8-[(2S)-3-ethoxy-2-hydroxy-3-methylbutyl]-7-methoxychromen-2-one
MFCD30187641
Yuehgesin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 170.5±22.2 °C
Index of Refraction: 1.544
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.81
ACD/KOC (pH 5.5): 619.34
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.81
ACD/KOC (pH 7.4): 619.34
Polar Surface Area: 65 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 260.7±3.0 cm3

Click to predict properties on the Chemicalize site


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