ChemSpider 2D Image | (6S,10R)-13-[6-(3,5-Dimethylphenoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2-tridecanol | C37H58O3

(6S,10R)-13-[6-(3,5-Dimethylphenoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2-tridecanol

  • Molecular FormulaC37H58O3
  • Average mass550.855 Da
  • Monoisotopic mass550.438599 Da
  • ChemSpider ID35516614

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6S,10R)-13-[6-(3,5-Dimethylphenoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2-tridecanol [German] [ACD/IUPAC Name]
(6S,10R)-13-[6-(3,5-Dimethylphenoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2-tridecanol [ACD/IUPAC Name]
(6S,10R)-13-[6-(3,5-Diméthylphénoxy)-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl]-2,6,10-triméthyl-2-tridécanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-dodecanol, 6-(3,5-dimethylphenoxy)-3,4-dihydro-α,α,ε,iota,2,5,7,8-octamethyl-, (εS,iotaR)- [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: 615.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.2±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 170.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.95
ACD/LogD (pH 5.5): 11.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 39 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 564.7±3.0 cm3

Click to predict properties on the Chemicalize site


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