Found 3 results

Search term: FHLGUOHLUFIAAA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-3,7-Dimethyl-1,6-octadien-3-yl butyrate | C14H24O2

(3R)-3,7-Dimethyl-1,6-octadien-3-yl butyrate

  • Molecular FormulaC14H24O2
  • Average mass224.339 Da
  • Monoisotopic mass224.177628 Da
  • ChemSpider ID34987255

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,7-Dimethyl-1,6-octadien-3-yl butyrate [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-1,6-octadien-3-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester [ACD/Index Name]
Butyrate de (3R)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
201-109-8 [EINECS]
78-36-4 [RN]
LINALYL BUTYRATE
UNII-7K9F6ZOH3S

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

Density: 0.9±0.1 g/cm3
Boiling Point: 265.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 103.3±0.0 °C
Index of Refraction: 1.455
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1521.69
ACD/KOC (pH 5.5): 6599.43
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1521.69
ACD/KOC (pH 7.4): 6599.43
Polar Surface Area: 26 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 28.5±3.0 dyne/cm
Molar Volume: 251.7±3.0 cm3

Click to predict properties on the Chemicalize site


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