ChemSpider 2D Image | (6S)-6-Heptyl-5,6-dihydro-2H-pyran-2-one | C12H20O2

(6S)-6-Heptyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID34984230

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Heptyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-Heptyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-Heptyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-heptyl-5,6-dihydro-, (6S)- [ACD/Index Name]
16400-72-9 [RN]
240-453-3 [EINECS]
5-HYDROXY-2-DODECENOIC ACID δ-LACTONE
UNII-407E8N1CFC

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

Density: 0.9±0.1 g/cm3
Boiling Point: 318.1±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 130.8±19.5 °C
Index of Refraction: 1.461
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 568.56
ACD/KOC (pH 5.5): 3261.90
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 568.56
ACD/KOC (pH 7.4): 3261.90
Polar Surface Area: 26 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 207.4±3.0 cm3

Click to predict properties on the Chemicalize site


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