ChemSpider 2D Image | Dimethyl {6-[3-(adamantan-1-yl)-4-(2,3-dihydroxypropoxy)phenyl]-2-naphthyl}malonate | C34H38O7

Dimethyl {6-[3-(adamantan-1-yl)-4-(2,3-dihydroxypropoxy)phenyl]-2-naphthyl}malonate

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID9737870

More details:

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

{6-[3-(Adamantan-1-yl)-4-(2,3-dihydroxypropoxy)phényl]-2-naphtyl}malonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl {6-[3-(adamantan-1-yl)-4-(2,3-dihydroxypropoxy)phenyl]-2-naphthyl}malonate [ACD/IUPAC Name]
Dimethyl-{6-[3-(adamantan-1-yl)-4-(2,3-dihydroxypropoxy)phenyl]-2-naphthyl}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[6-[4-(2,3-dihydroxypropoxy)-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-2-naphthalenyl]-, dimethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 233.4±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21586.93
ACD/KOC (pH 5.5): 44055.45
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21585.74
ACD/KOC (pH 7.4): 44053.02
Polar Surface Area: 102 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 440.2±3.0 cm3

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