ChemSpider 2D Image | 5-({(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}oxy)pentanoic acid | C34H58O4

5-({(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}oxy)pentanoic acid

  • Molecular FormulaC34H58O4
  • Average mass530.822 Da
  • Monoisotopic mass530.433533 Da
  • ChemSpider ID8004179

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-({(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}oxy)pentanoic acid [ACD/IUPAC Name]
5-({(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}oxy)pentansäure [German] [ACD/IUPAC Name]
Acide 5-({(2R)-2,5,7,8-tétraméthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-6-yl}oxy)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl]oxy]- [ACD/Index 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: 628.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 185.9±25.0 °C
Index of Refraction: 1.494
Molar Refractivity: 160.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 10.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2702988.75
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 238798.05
ACD/KOC (pH 7.4): 42737.99
Polar Surface Area: 56 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 549.0±3.0 cm3

Click to predict properties on the Chemicalize site


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