ChemSpider 2D Image | (2R)-2-[(3E,7E)-4,8-Dimethyl-12-(~2~H_3_)methyl(13,13,13-~2~H_3_)-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-6-chromanol | C27H34D6O2

(2R)-2-[(3E,7E)-4,8-Dimethyl-12-(2H3)methyl(13,13,13-2H3)-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-6-chromanol

  • Molecular FormulaC27H34D6O2
  • Average mass402.642 Da
  • Monoisotopic mass402.340485 Da
  • ChemSpider ID58784484

  • 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-[(3E,7E)-4,8-Dimethyl-12-(2H3)methyl(13,13,13-2H3)-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2-[(3E,7E)-4,8-Dimethyl-12-(2H3)methyl(13,13,13-2H3)-3,7,11-tridecatrien-1-yl]-2,8-dimethyl-6-chromanol [ACD/IUPAC Name]
(2R)-2-[(3E,7E)-4,8-Diméthyl-12-(2H3)méthyl(13,13,13-2H3)-3,7,11-tridécatrién-1-yl]-2,8-diméthyl-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 2-[(3E,7E)-4,8-dimethyl-12-(methyl-d3)-3,7,11-tridecatrien-1-yl-13,13,13-d3]-3,4-dihydro-2,8-dimethyl-, (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: 517.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 212.8±21.3 °C
Index of Refraction: 1.524
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 8.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1008906.56
ACD/LogD (pH 7.4): 8.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1008399.31
Polar Surface Area: 29 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 409.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement