ChemSpider 2D Image | (5E)-7-[4-Hydroxy-6-oxo-2-(3-oxooctyl)tetrahydro-2H-pyran-3-yl]-5-heptenoic acid (non-preferred name) | C20H32O6

(5E)-7-[4-Hydroxy-6-oxo-2-(3-oxooctyl)tetrahydro-2H-pyran-3-yl]-5-heptenoic acid (non-preferred name)

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID57513897
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-7-[4-Hydroxy-6-oxo-2-(3-oxooctyl)tetrahydro-2H-pyran-3-yl]-5-heptenoic acid (non-preferred name) [ACD/IUPAC Name]
(5E)-7-[4-Hydroxy-6-oxo-2-(3-oxooctyl)tetrahydro-2H-pyran-3-yl]-5-heptensäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (5E)-7-[4-hydroxy-6-oxo-2-(3-oxooctyl)tétrahydro-2H-pyran-3-yl]-5-hepténoïque (non-preferred name) [French] [ACD/IUPAC Name]
7-[4-HYDROXY-6-OXO-2-(3-OXOOCTYL)OXAN-3-YL]HEPT-5-ENOIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 580.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 199.8±19.4 °C
Index of Refraction: 1.498
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 61.40
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 333.1±3.0 cm3

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