ChemSpider 2D Image | 2-[(3E)-4,8-Dimethyl-6-oxo-3-nonen-1-yl]-5-hydroxy-2,7-dimethyl-2H-chromene-6-carboxylic acid | C23H30O5

2-[(3E)-4,8-Dimethyl-6-oxo-3-nonen-1-yl]-5-hydroxy-2,7-dimethyl-2H-chromene-6-carboxylic acid

  • Molecular FormulaC23H30O5
  • Average mass386.481 Da
  • Monoisotopic mass386.209320 Da
  • ChemSpider ID25032577

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2-[(3E)-4,8-Dimethyl-6-oxo-3-nonen-1-yl]-5-hydroxy-2,7-dimethyl-2H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
2-[(3E)-4,8-Dimethyl-6-oxo-3-nonen-1-yl]-5-hydroxy-2,7-dimethyl-2H-chromene-6-carboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-6-carboxylic acid, 2-[(3E)-4,8-dimethyl-6-oxo-3-nonen-1-yl]-5-hydroxy-2,7-dimethyl- [ACD/Index Name]
Acide 2-[(3E)-4,8-diméthyl-6-oxo-3-nonén-1-yl]-5-hydroxy-2,7-diméthyl-2H-chromène-6-carboxylique [French] [ACD/IUPAC Name]
ANTHOPOGOCHROMENE A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 179.1±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 28.19
ACD/KOC (pH 5.5): 50.90
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 23.56
ACD/KOC (pH 7.4): 42.55
Polar Surface Area: 84 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

Click to predict properties on the Chemicalize site


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