ChemSpider 2D Image | (4R,6S)-1,7-Dioxaspiro[5.5]undecan-4-ol | C9H16O3

(4R,6S)-1,7-Dioxaspiro[5.5]undecan-4-ol

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID61664811

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,6S)-1,7-Dioxaspiro[5.5]undecan-4-ol [German] [ACD/IUPAC Name]
(4R,6S)-1,7-Dioxaspiro[5.5]undecan-4-ol [ACD/IUPAC Name]
(4R,6S)-1,7-Dioxaspiro[5.5]undécan-4-ol [French] [ACD/IUPAC Name]
1,7-Dioxaspiro[5.5]undecan-4-ol, (4R,6S)- [ACD/Index Name]
(4R,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane
83015-85-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.6±6.0 kJ/mol
Flash Point: 144.7±23.7 °C
Index of Refraction: 1.502
Molar Refractivity: 44.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 93.05
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 93.05
Polar Surface Area: 39 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 151.2±5.0 cm3

Click to predict properties on the Chemicalize site


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