ChemSpider 2D Image | (11S)-11-(2,2-Dimethoxyethyl)-1-[(4-methoxybenzyl)oxy]-4-(methoxymethoxy)-4,12-dimethyl-12-tridecene-2,7-diyn-6-ol | C29H42O7

(11S)-11-(2,2-Dimethoxyethyl)-1-[(4-methoxybenzyl)oxy]-4-(methoxymethoxy)-4,12-dimethyl-12-tridecene-2,7-diyn-6-ol

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID8872154

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(11S)-11-(2,2-Dimethoxyethyl)-1-[(4-methoxybenzyl)oxy]-4-(methoxymethoxy)-4,12-dimethyl-12-tridecen-2,7-diin-6-ol [German] [ACD/IUPAC Name]
(11S)-11-(2,2-Dimethoxyethyl)-1-[(4-methoxybenzyl)oxy]-4-(methoxymethoxy)-4,12-dimethyl-12-tridecene-2,7-diyn-6-ol [ACD/IUPAC Name]
(11S)-11-(2,2-Diméthoxyéthyl)-1-[(4-méthoxybenzyl)oxy]-4-(méthoxyméthoxy)-4,12-diméthyl-12-tridécène-2,7-diyn-6-ol [French] [ACD/IUPAC Name]
12-Tridecene-2,7-diyn-6-ol, 11-(2,2-dimethoxyethyl)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-4,12-dimethyl-, (11S)- [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: 596.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.8±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4209.78
ACD/KOC (pH 5.5): 13672.20
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4209.76
ACD/KOC (pH 7.4): 13672.13
Polar Surface Area: 76 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 468.4±3.0 cm3

Click to predict properties on the Chemicalize site


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