ChemSpider 2D Image | 5-[4-(3-{4-[(2R)-2-Hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]pentanoic acid | C30H44O5

5-[4-(3-{4-[(2R)-2-Hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]pentanoic acid

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID26326678

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-[4-(3-{4-[(2R)-2-Hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]pentanoic acid [ACD/IUPAC Name]
5-[4-(3-{4-[(2R)-2-Hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]pentansäure [German] [ACD/IUPAC Name]
5-{4-[3-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}pentanoic Acid
Acide 5-[4-(3-{4-[(2R)-2-hydroxy-3,3-diméthylbutoxy]-3-méthylphényl}-3-pentanyl)-2-méthylphénoxy]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[4-[1-ethyl-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]propyl]-2-methylphenoxy]- [ACD/Index Name]
DS3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 195.0±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 22844.79
ACD/KOC (pH 5.5): 25816.77
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 361.01
ACD/KOC (pH 7.4): 407.98
Polar Surface Area: 76 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

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