Found 1 result

Search term: 78440246 (Found by CSID)
ChemSpider 2D Image | (1R,3S)-6-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-1,3,4-trimethoxy-1,5-dimethyl-1,3-dihydro-2-benzofuran | C23H34O5

(1R,3S)-6-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-1,3,4-trimethoxy-1,5-dimethyl-1,3-dihydro-2-benzofuran

  • Molecular FormulaC23H34O5
  • Average mass390.513 Da
  • Monoisotopic mass390.240631 Da
  • ChemSpider ID78440246

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-6-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-1,3,4-trimethoxy-1,5-dimethyl-1,3-dihydro-2-benzofuran [German] [ACD/IUPAC Name]
(1R,3S)-6-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-1,3,4-trimethoxy-1,5-dimethyl-1,3-dihydro-2-benzofuran [ACD/IUPAC Name]
(1R,3S)-6-{[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]oxy}-1,3,4-triméthoxy-1,5-diméthyl-1,3-dihydro-2-benzofurane [French] [ACD/IUPAC Name]
Isobenzofuran, 6-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-1,3-dihydro-1,3,4-trimethoxy-1,5-dimethyl-, (1R,3S)- [ACD/Index Name]
maristachone E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 197.1±30.0 °C
Index of Refraction: 1.523
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6436.00
ACD/KOC (pH 5.5): 18526.74
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6436.00
ACD/KOC (pH 7.4): 18526.74
Polar Surface Area: 46 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 365.1±5.0 cm3

Click to predict properties on the Chemicalize site


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