Found 57 results

Search term: MF = 'C_{26}H_{46}O_{4}'
ChemSpider 2D Image | (2R,4R,6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadecan-11-one | C26H46O4

(2R,4R,6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadecan-11-one

  • Molecular FormulaC26H46O4
  • Average mass422.641 Da
  • Monoisotopic mass422.339600 Da
  • ChemSpider ID24708351

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4R,6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadecan-11-on [German] [ACD/IUPAC Name]
(2R,4R,6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadecan-11-one [ACD/IUPAC Name]
(2R,4R,6R)-4-Hydroxy-2-tridécyl-1,7-dioxadispiro[5.1.5.2]pentadécan-11-one [French] [ACD/IUPAC Name]
1,7-Dioxadispiro[5.1.5.2]pentadecan-11-one, 4-hydroxy-2-tridecyl-, (2R,4R,6R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497655/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 181.6±23.6 °C
Index of Refraction: 1.509
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 91992.77
ACD/KOC (pH 5.5): 124346.64
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 91992.77
ACD/KOC (pH 7.4): 124346.64
Polar Surface Area: 56 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

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