ChemSpider 2D Image | (2S)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-7-methoxy-2,5-dimethyl-2H-chromen-6-ol | C23H32O3

(2S)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-7-methoxy-2,5-dimethyl-2H-chromen-6-ol

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID78441666

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-7-methoxy-2,5-dimethyl-2H-chromen-6-ol [German] [ACD/IUPAC Name]
(2S)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-7-methoxy-2,5-dimethyl-2H-chromen-6-ol [ACD/IUPAC Name]
(2S)-2-[(3E)-4,8-Diméthyl-3,7-nonadién-1-yl]-7-méthoxy-2,5-diméthyl-2H-chromén-6-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-7-methoxy-2,5-dimethyl-, (2S)- [ACD/Index Name]
Antroquinonol X

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

Density: 1.0±0.1 g/cm3
Boiling Point: 481.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 245.1±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80602.09
ACD/KOC (pH 5.5): 113120.59
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80552.02
ACD/KOC (pH 7.4): 113050.31
Polar Surface Area: 39 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 350.7±3.0 cm3

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