ChemSpider 2D Image | (2R)-2,7,8-Trimethyl-5-(~2~H_3_)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol | C29H47D3O2

(2R)-2,7,8-Trimethyl-5-(2H3)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol

  • Molecular FormulaC29H47D3O2
  • Average mass433.725 Da
  • Monoisotopic mass433.399902 Da
  • ChemSpider ID9422547

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2,7,8-Trimethyl-5-(2H3)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,7,8-Trimethyl-5-(2H3)methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2,7,8-Triméthyl-5-(2H3)méthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-5-(methyl-d3)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 485.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 210.2±24.4 °C
Index of Refraction: 1.495
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 11.90
ACD/LogD (pH 5.5): 10.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9548396.00
ACD/LogD (pH 7.4): 10.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9547463.00
Polar Surface Area: 29 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 462.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement