ChemSpider 2D Image | (2R)-2,8-Dimethyl-5,7-bis[(~2~H_3_)methyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl acetate | C31H46D6O3

(2R)-2,8-Dimethyl-5,7-bis[(2H3)methyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl acetate

  • Molecular FormulaC31H46D6O3
  • Average mass478.780 Da
  • Monoisotopic mass478.429291 Da
  • ChemSpider ID62882228
  • 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)-2,8-Dimethyl-5,7-bis[(2H3)methyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl acetate [ACD/IUPAC Name]
(2R)-2,8-Dimethyl-5,7-bis[(2H3)methyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl-acetat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-5,7-di(methyl-d3)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)- [ACD/Index Name]
Acétate de (2R)-2,8-diméthyl-5,7-bis[(2H3)méthyl]-2-[(4R,8R)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
143731-16-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 485.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 235.6±24.7 °C
Index of Refraction: 1.488
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 12.07
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 502.0±3.0 cm3

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