ChemSpider 2D Image | (2R)-2,7,8-Trimethyl-5-(~2~H_3_)methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol | C29H41D3O2

(2R)-2,7,8-Trimethyl-5-(2H3)methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol

  • Molecular FormulaC29H41D3O2
  • Average mass427.677 Da
  • Monoisotopic mass427.352966 Da
  • ChemSpider ID17239758

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 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-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,7,8-Trimethyl-5-(2H3)methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2,7,8-Triméthyl-5-(2H3)méthyl-2-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-5-(methyl-d3)-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)- [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: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 222.3±24.4 °C
Index of Refraction: 1.523
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 9.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3820049.00
ACD/LogD (pH 7.4): 9.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3819667.25
Polar Surface Area: 29 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 441.9±3.0 cm3

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