ChemSpider 2D Image | spiroplakortone | C22H36O3

spiroplakortone

  • Molecular FormulaC22H36O3
  • Average mass348.519 Da
  • Monoisotopic mass348.266449 Da
  • ChemSpider ID35143515

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5R,7S)-7,9-Diethyl-3-isobutyl-7-(2-methylhexyl)-1,6-dioxaspiro[4.4]nona-3,8-dien-2-on [German] [ACD/IUPAC Name]
(5R,7S)-7,9-Diethyl-3-isobutyl-7-(2-methylhexyl)-1,6-dioxaspiro[4.4]nona-3,8-dien-2-one [ACD/IUPAC Name]
(5R,7S)-7,9-Diéthyl-3-isobutyl-7-(2-méthylhexyl)-1,6-dioxaspiro[4.4]nona-3,8-dién-2-one [French] [ACD/IUPAC Name]
1,6-Dioxaspiro[4.4]nona-3,8-dien-2-one, 7,9-diethyl-7-(2-methylhexyl)-3-(2-methylpropyl)-, (5R,7S)- [ACD/Index Name]
spiroplakortone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 466.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 200.7±23.3 °C
Index of Refraction: 1.499
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16668.38
ACD/KOC (pH 5.5): 36611.55
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16668.38
ACD/KOC (pH 7.4): 36611.55
Polar Surface Area: 36 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 35.5±5.0 dyne/cm
Molar Volume: 349.9±5.0 cm3

Click to predict properties on the Chemicalize site


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