ChemSpider 2D Image | 7-({(2E)-5-[(4R)-5,5-Dimethyl-2-nonyl-1,3-dioxolan-4-yl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-one | C29H42O5

7-({(2E)-5-[(4R)-5,5-Dimethyl-2-nonyl-1,3-dioxolan-4-yl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-one

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID24654027
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 7-[[(2E)-5-[(4R)-5,5-dimethyl-2-nonyl-1,3-dioxolan-4-yl]-3-methyl-2-penten-1-yl]oxy]- [ACD/Index Name]
7-({(2E)-5-[(4R)-5,5-Dimethyl-2-nonyl-1,3-dioxolan-4-yl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-({(2E)-5-[(4R)-5,5-Dimethyl-2-nonyl-1,3-dioxolan-4-yl]-3-methyl-2-penten-1-yl}oxy)-2H-chromen-2-one [ACD/IUPAC Name]
7-({(2E)-5-[(4R)-5,5-Diméthyl-2-nonyl-1,3-dioxolan-4-yl]-3-méthyl-2-pentén-1-yl}oxy)-2H-chromén-2-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 584.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 245.7±30.2 °C
Index of Refraction: 1.508
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 837506.00
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 837506.00
Polar Surface Area: 54 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 455.4±3.0 cm3

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