Found 1 result

Search term: BKIXLOKVEVNMDA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (4R,5R,7S,9R,10R)-5,9-Dimethoxy-7-[(4-methoxybenzyl)oxy]-4,10-bis(methoxymethoxy)-2-methyl-11-dodecen-3-one | C27H44O9

(4R,5R,7S,9R,10R)-5,9-Dimethoxy-7-[(4-methoxybenzyl)oxy]-4,10-bis(methoxymethoxy)-2-methyl-11-dodecen-3-one

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID9550614
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(4R,5R,7S,9R,10R)-5,9-Dimethoxy-7-[(4-methoxybenzyl)oxy]-4,10-bis(methoxymethoxy)-2-methyl-11-dodecen-3-on [German] [ACD/IUPAC Name]
(4R,5R,7S,9R,10R)-5,9-Dimethoxy-7-[(4-methoxybenzyl)oxy]-4,10-bis(methoxymethoxy)-2-methyl-11-dodecen-3-one [ACD/IUPAC Name]
(4R,5R,7S,9R,10R)-5,9-Diméthoxy-7-[(4-méthoxybenzyl)oxy]-4,10-bis(méthoxyméthoxy)-2-méthyl-11-dodécén-3-one [French] [ACD/IUPAC Name]
11-Dodecen-3-one, 5,9-dimethoxy-4,10-bis(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-2-methyl-, (4R,5R,7S,9R,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 236.6±30.2 °C
Index of Refraction: 1.482
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 775.41
ACD/KOC (pH 5.5): 4073.13
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 775.41
ACD/KOC (pH 7.4): 4073.13
Polar Surface Area: 91 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 482.4±3.0 cm3

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