ChemSpider 2D Image | (2R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-5-hydroxy-2,7-dimethyl-2H-chromene-6-carboxylic acid | C23H30O4

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

  • Molecular FormulaC23H30O4
  • Average mass370.482 Da
  • Monoisotopic mass370.214417 Da
  • ChemSpider ID129310529

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-5-hydroxy-2,7-dimethyl-2H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-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-3,7-nonadien-1-yl]-5-hydroxy-2,7-dimethyl-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(3E)-4,8-diméthyl-3,7-nonadién-1-yl]-5-hydroxy-2,7-diméthyl-2H-chromène-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 503.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 167.1±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.20
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 704.73
ACD/KOC (pH 5.5): 509.86
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 588.73
ACD/KOC (pH 7.4): 425.93
Polar Surface Area: 67 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 339.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement