ChemSpider 2D Image | 2,2'-{[3-(2,6,6-Trimethyltetrahydro-2H-pyran-2-yl)-2-propyn-1-yl]imino}diethanol | C15H27NO3

2,2'-{[3-(2,6,6-Trimethyltetrahydro-2H-pyran-2-yl)-2-propyn-1-yl]imino}diethanol

  • Molecular FormulaC15H27NO3
  • Average mass269.380 Da
  • Monoisotopic mass269.199097 Da
  • ChemSpider ID21593813

More details:

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

2,2'-{[3-(2,6,6-Trimethyltetrahydro-2H-pyran-2-yl)-2-propin-1-yl]imino}diethanol [German] [ACD/IUPAC Name]
2,2'-{[3-(2,6,6-Trimethyltetrahydro-2H-pyran-2-yl)-2-propyn-1-yl]imino}diethanol [ACD/IUPAC Name]
2,2'-{[3-(2,6,6-Triméthyltétrahydro-2H-pyran-2-yl)-2-propyn-1-yl]imino}diéthanol [French] [ACD/IUPAC Name]
Ethanol, 2,2'-[[3-(tetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)-2-propyn-1-yl]imino]bis- [ACD/Index Name]
2,2'-{[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)prop-2-yn-1-yl]imino}diethanol
2-{(2-hydroxyethyl)[3-(2,6,6-trimethyl(2H-3,4,5,6-tetrahydropyran-2-yl))prop-2-ynyl]amino}ethan-1-ol
2-{(2-Hydroxy-ethyl)-[3-(2,6,6-trimethyl-tetrahydro-pyran-2-yl)-prop-2-ynyl]-amino}-ethanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 411.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 202.5±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 7.22
ACD/KOC (pH 5.5): 111.40
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.19
ACD/KOC (pH 7.4): 265.20
Polar Surface Area: 53 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

Click to predict properties on the Chemicalize site


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