ChemSpider 2D Image | (2R)-2-Methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromene-6-carboxylic acid | C22H28O3

(2R)-2-Methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromene-6-carboxylic acid

  • Molecular FormulaC22H28O3
  • Average mass340.456 Da
  • Monoisotopic mass340.203857 Da
  • ChemSpider ID26333928

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-Methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-2H-chromene-6-carboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-6-carboxylic acid, 2-methyl-8-(3-methyl-2-buten-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2R)- [ACD/Index Name]
Acide (2R)-2-méthyl-8-(3-méthyl-2-butén-1-yl)-2-(4-méthyl-3-pentén-1-yl)-2H-chromène-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 486.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 164.0±22.2 °C
Index of Refraction: 1.543
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 11867.06
ACD/KOC (pH 5.5): 14526.94
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 255.06
ACD/KOC (pH 7.4): 312.23
Polar Surface Area: 47 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 324.3±3.0 cm3

Click to predict properties on the Chemicalize site


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