ChemSpider 2D Image | (3E,5S,8R)-5,8-Dihydroxy-14-pentyloxacyclotetradec-3-en-2-one | C18H32O4

(3E,5S,8R)-5,8-Dihydroxy-14-pentyloxacyclotetradec-3-en-2-one

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID40256766

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3E,5S,8R)-5,8-Dihydroxy-14-pentyloxacyclotetradec-3-en-2-on [German] [ACD/IUPAC Name]
(3E,5S,8R)-5,8-Dihydroxy-14-pentyloxacyclotetradec-3-en-2-one [ACD/IUPAC Name]
(3E,5S,8R)-5,8-Dihydroxy-14-pentyloxacyclotétradéc-3-én-2-one [French] [ACD/IUPAC Name]
Oxacyclotetradec-3-en-2-one, 5,8-dihydroxy-14-pentyl-, (3E,5S,8R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 503.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 175.1±23.6 °C
Index of Refraction: 1.477
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 436.32
ACD/KOC (pH 5.5): 2698.84
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 436.32
ACD/KOC (pH 7.4): 2698.83
Polar Surface Area: 67 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 310.3±3.0 cm3

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