ChemSpider 2D Image | (3R,5S)-3-Heptyl-5-methyldihydro-2(3H)-furanone | C12H22O2

(3R,5S)-3-Heptyl-5-methyldihydro-2(3H)-furanone

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID34989297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-3-Heptyl-5-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3R,5S)-3-Heptyl-5-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(3R,5S)-3-Heptyl-5-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 3-heptyldihydro-5-methyl-, (3R,5S)- [ACD/Index Name]
255-141-2 [EINECS]
3-Heptyldihydro-5-methyl-2(3H)-furanone
40923-64-6 [RN]
UNII-B5Z5UJR56Z

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

Density: 0.9±0.1 g/cm3
Boiling Point: 289.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 117.1±15.9 °C
Index of Refraction: 1.443
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.31
ACD/KOC (pH 5.5): 2055.76
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.31
ACD/KOC (pH 7.4): 2055.76
Polar Surface Area: 26 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 29.1±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

Click to predict properties on the Chemicalize site


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