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]-2,5,8-trimethyl-6-chromanol | C28H36D6O2

(2R)-2-[(3E,7E)-4,8-Dimethyl-12-(2H3)methyl(13,13,13-2H3)-3,7,11-tridecatrien-1-yl]-2,5,8-trimethyl-6-chromanol

  • Molecular FormulaC28H36D6O2
  • Average mass416.669 Da
  • Monoisotopic mass416.356140 Da
  • ChemSpider ID48062272

  • 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]-2,5,8-trimethyl-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]-2,5,8-trimethyl-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]-2,5,8-triméthyl-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-2,5,8-trimethyl-, (2R)- [ACD/Index Name]
(2R)-2,5,8-trimethyl-2-[(3E,7E)-13,13,13-trideuterio-4,8-dimethyl-12-(trideuteriomethyl)trideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
1174643-63-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 528.8±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 217.0±24.1 °C
Index of Refraction: 1.523
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 10.30
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1640282.38
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1639918.63
Polar Surface Area: 29 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 425.6±3.0 cm3

Click to predict properties on the Chemicalize site


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