ChemSpider 2D Image | 1-{6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-2-oxo-2H-chromen-4-yl}propyl acetate | C29H38O7

1-{6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-2-oxo-2H-chromen-4-yl}propyl acetate

  • Molecular FormulaC29H38O7
  • Average mass498.608 Da
  • Monoisotopic mass498.261749 Da
  • ChemSpider ID68176530

More details:

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

1-{6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-2-oxo-2H-chromen-4-yl}propyl acetate [ACD/IUPAC Name]
1-{6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-2-oxo-2H-chromen-4-yl}propyl-acetat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 4-[1-(acetyloxy)propyl]-6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5,7-dihydroxy-8-(2-methyl-1-oxobutyl)- [ACD/Index Name]
Acétate de 1-{6-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-5,7-dihydroxy-8-(2-méthylbutanoyl)-2-oxo-2H-chromén-4-yl}propyle [French] [ACD/IUPAC Name]
28319-38-2 [RN]
Surangin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 211.1±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 103071.99
ACD/KOC (pH 5.5): 91387.63
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 332.43
ACD/KOC (pH 7.4): 294.75
Polar Surface Area: 110 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

Click to predict properties on the Chemicalize site


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