ChemSpider 2D Image | (2E,6E)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethyl-2,6-nonadienoic acid | C23H32O4

(2E,6E)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethyl-2,6-nonadienoic acid

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID30776659

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,6E)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethyl-2,6-nonadienoic acid [ACD/IUPAC Name]
(2E,6E)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethyl-2,6-nonadiensäure [German] [ACD/IUPAC Name]
2,6-Nonadienoic acid, 9-[(2R)-3,4-dihydro-6-hydroxy-2,7,8-trimethyl-2H-1-benzopyran-2-yl]-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
Acide (2E,6E)-9-[(2R)-6-hydroxy-2,7,8-triméthyl-3,4-dihydro-2H-chromén-2-yl]-2,6-diméthyl-2,6-nonadiénoïque [French] [ACD/IUPAC Name]
(2E,6E)-9-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid
(2E,6E)-9-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid
17-15-2 [RN]
2-(8-Carboxy-4,8-dimethyl-(3E,7E)-octadienyl)-6-hydroxy-2,7,8-trimethylchroman
9'-Carboxy-γ-tocotrienol
Carboxydimethyloctenyl hydroxychroman
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 191.2±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 7330.66
ACD/KOC (pH 5.5): 13549.41
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 126.19
ACD/KOC (pH 7.4): 233.25
Polar Surface Area: 67 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 344.3±3.0 cm3

Click to predict properties on the Chemicalize site


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