ChemSpider 2D Image | (6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-one | C26H42O4

(6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-one

  • Molecular FormulaC26H42O4
  • Average mass418.609 Da
  • Monoisotopic mass418.308319 Da
  • ChemSpider ID75566526

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-on [German] [ACD/IUPAC Name]
(6R)-4-Hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-one [ACD/IUPAC Name]
(6R)-4-Hydroxy-2-tridécyl-1,7-dioxadispiro[5.1.5.2]pentadéca-9,12-dién-11-one [French] [ACD/IUPAC Name]
1,7-Dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-one, 4-hydroxy-2-tridecyl-, (6R)- [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: 575.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 186.4±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 124142.02
ACD/KOC (pH 5.5): 154100.91
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 124142.02
ACD/KOC (pH 7.4): 154100.91
Polar Surface Area: 56 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 393.4±5.0 cm3

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