Found 1 result

Search term: NQBJMUPBTSEMTD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1E,4S,5S)-1-[(4R,5R)-5-{3-[(4-Methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-1-undecen-4-ol | C29H48O7

(1E,4S,5S)-1-[(4R,5R)-5-{3-[(4-Methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-1-undecen-4-ol

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID9561564

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1E,4S,5S)-1-[(4R,5R)-5-{3-[(4-Methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-1-undecen-4-ol [ACD/IUPAC Name]
(1E,4S,5S)-1-[(4R,5R)-5-{3-[(4-Methoxybenzyl)oxy]propyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-1-undecen-4-ol [German] [ACD/IUPAC Name]
(1E,4S,5S)-1-[(4R,5R)-5-{3-[(4-Méthoxybenzyl)oxy]propyl}-2,2-diméthyl-1,3-dioxolan-4-yl]-5-(méthoxyméthoxy)-1-undécén-4-ol [French] [ACD/IUPAC Name]
1-Undecen-4-ol, 5-(methoxymethoxy)-1-[(4R,5R)-5-[3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-, (1E,4S,5S)- [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: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.4±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9333.97
ACD/KOC (pH 5.5): 24174.82
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9333.97
ACD/KOC (pH 7.4): 24174.82
Polar Surface Area: 76 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 482.8±3.0 cm3

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