Found 1 result

Search term: MF = 'C_{28}H_{39}D_{3}O_{2}'
ChemSpider 2D Image | (2R)-2,8-Dimethyl-5-(~2~H_3_)methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol | C28H39D3O2

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

  • Molecular FormulaC28H39D3O2
  • Average mass413.650 Da
  • Monoisotopic mass413.337311 Da
  • ChemSpider ID17239759

  • 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)-2,8-Dimethyl-5-(2H3)methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol [ACD/IUPAC Name]
(2R)-2,8-Dimethyl-5-(2H3)methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2,8-Diméthyl-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-2,8-dimethyl-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: 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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