Found 1 result

Search term: QDCDNXPVZYFAHI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-2,2,4,4,5,5-Hexamethyl-3-hexanol | C12H26O

(3S)-2,2,4,4,5,5-Hexamethyl-3-hexanol

  • Molecular FormulaC12H26O
  • Average mass186.334 Da
  • Monoisotopic mass186.198364 Da
  • ChemSpider ID97473895

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2,2,4,4,5,5-Hexamethyl-3-hexanol [German] [ACD/IUPAC Name]
(3S)-2,2,4,4,5,5-Hexamethyl-3-hexanol [ACD/IUPAC Name]
(3S)-2,2,4,4,5,5-Hexaméthyl-3-hexanol [French] [ACD/IUPAC Name]
3-Hexanol, 2,2,4,4,5,5-hexamethyl-, (3S)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 196.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.3±6.0 kJ/mol
Flash Point: 74.3±8.6 °C
Index of Refraction: 1.439
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 341.80
ACD/KOC (pH 5.5): 2266.11
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.80
ACD/KOC (pH 7.4): 2266.11
Polar Surface Area: 20 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 26.4±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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