ChemSpider 2D Image | (1S,3R,5Z,7E)-1,3-Bis[(2-methoxyethoxy)methoxy]-9,10-secocholesta-5,7,10-triene | C35H60O6

(1S,3R,5Z,7E)-1,3-Bis[(2-methoxyethoxy)methoxy]-9,10-secocholesta-5,7,10-triene

  • Molecular FormulaC35H60O6
  • Average mass576.847 Da
  • Monoisotopic mass576.438965 Da
  • ChemSpider ID10002621

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3R,5Z,7E)-1,3-Bis[(2-methoxyethoxy)methoxy]-9,10-secocholesta-5,7,10-trien [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E)-1,3-Bis[(2-methoxyethoxy)methoxy]-9,10-secocholesta-5,7,10-triene [ACD/IUPAC Name]
(1S,3R,5Z,7E)-1,3-Bis[(2-méthoxyéthoxy)méthoxy]-9,10-sécocholesta-5,7,10-triène [French] [ACD/IUPAC Name]
1H-Indene, 4-[(2Z)-2-[(3S,5R)-3,5-bis[(2-methoxyethoxy)methoxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-, (1R,3aS,4E,7aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 220.2±31.4 °C
Index of Refraction: 1.504
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 729910.00
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 729910.00
Polar Surface Area: 55 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 564.8±5.0 cm3

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