Found 6 results

Search term: YBRHBMHQQIEOOL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E,4S)-2,4-Dimethyl-2,6-heptadien-1-ol | C9H16O

(2E,4S)-2,4-Dimethyl-2,6-heptadien-1-ol

  • Molecular FormulaC9H16O
  • Average mass140.223 Da
  • Monoisotopic mass140.120117 Da
  • ChemSpider ID61633893

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,4S)-2,4-Dimethyl-2,6-heptadien-1-ol [ACD/IUPAC Name]
(2E,4S)-2,4-Dimethyl-2,6-heptadien-1-ol [German] [ACD/IUPAC Name]
(2E,4S)-2,4-Diméthyl-2,6-heptadién-1-ol [French] [ACD/IUPAC Name]
2,6-Heptadien-1-ol, 2,4-dimethyl-, (2E,4S)- [ACD/Index Name]
2089475-92-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 190.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.7±6.0 kJ/mol
Flash Point: 78.3±0.0 °C
Index of Refraction: 1.461
Molar Refractivity: 44.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.47
ACD/KOC (pH 5.5): 970.07
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.47
ACD/KOC (pH 7.4): 970.07
Polar Surface Area: 20 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 28.2±3.0 dyne/cm
Molar Volume: 163.5±3.0 cm3

Click to predict properties on the Chemicalize site


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