ChemSpider 2D Image | (3R)-5,7-Dimethoxy-3-{6-[(2S,5S,7S)-7-methyl-1,6-dioxaspiro[4.4]non-2-yl]hexyl}-2-benzofuran-1(3H)-one | C24H34O6

(3R)-5,7-Dimethoxy-3-{6-[(2S,5S,7S)-7-methyl-1,6-dioxaspiro[4.4]non-2-yl]hexyl}-2-benzofuran-1(3H)-one

  • Molecular FormulaC24H34O6
  • Average mass418.523 Da
  • Monoisotopic mass418.235535 Da
  • ChemSpider ID24707785

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R)-5,7-Dimethoxy-3-{6-[(2S,5S,7S)-7-methyl-1,6-dioxaspiro[4.4]non-2-yl]hexyl}-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3R)-5,7-Dimethoxy-3-{6-[(2S,5S,7S)-7-methyl-1,6-dioxaspiro[4.4]non-2-yl]hexyl}-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3R)-5,7-Diméthoxy-3-{6-[(2S,5S,7S)-7-méthyl-1,6-dioxaspiro[4.4]non-2-yl]hexyl}-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 5,7-dimethoxy-3-[6-[(2S,5S,7S)-7-methyl-1,6-dioxaspiro[4.4]non-2-yl]hexyl]-, (3R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497131/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 247.9±30.2 °C
Index of Refraction: 1.546
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 806.69
ACD/KOC (pH 5.5): 4190.08
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 806.69
ACD/KOC (pH 7.4): 4190.08
Polar Surface Area: 63 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 355.8±5.0 cm3

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