ChemSpider 2D Image | (2S,5S)-2-(1,1-Dimethylethyl)-2,5-dihydro-5-methyl-2-propylfuran | C12H22O

(2S,5S)-2-(1,1-Dimethylethyl)-2,5-dihydro-5-methyl-2-propylfuran

  • Molecular FormulaC12H22O
  • Average mass182.303 Da
  • Monoisotopic mass182.167068 Da
  • ChemSpider ID57489885
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,5S)-2-(1,1-Dimethylethyl)-2,5-dihydro-5-methyl-2-propylfuran
(2S,5S)-5-Methyl-2-(2-methyl-2-propanyl)-2-propyl-2,5-dihydrofuran [German] [ACD/IUPAC Name]
(2S,5S)-5-Methyl-2-(2-methyl-2-propanyl)-2-propyl-2,5-dihydrofuran [ACD/IUPAC Name]
(2S,5S)-5-Méthyl-2-(2-méthyl-2-propanyl)-2-propyl-2,5-dihydrofurane [French] [ACD/IUPAC Name]
1092785-58-4 [RN]
Furan, 2-(1,1-dimethylethyl)-2,5-dihydro-5-methyl-2-propyl-, (2S,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 217.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 80.3±22.3 °C
Index of Refraction: 1.445
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.64
ACD/KOC (pH 5.5): 1850.99
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.64
ACD/KOC (pH 7.4): 1850.99
Polar Surface Area: 9 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 211.8±3.0 cm3

Click to predict properties on the Chemicalize site






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