ChemSpider 2D Image | (3S,3aR,7S,8aR)-6-(3-Hydroxypropyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one | C14H22O3

(3S,3aR,7S,8aR)-6-(3-Hydroxypropyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one

  • Molecular FormulaC14H22O3
  • Average mass238.323 Da
  • Monoisotopic mass238.156891 Da
  • ChemSpider ID24846707
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3S,3aR,7S,8aR)-6-(3-Hydroxypropyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-on [German] [ACD/IUPAC Name]
(3S,3aR,7S,8aR)-6-(3-Hydroxypropyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one [ACD/IUPAC Name]
(3S,3aR,7S,8aR)-6-(3-Hydroxypropyl)-3,7-diméthyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one [French] [ACD/IUPAC Name]
2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(3-hydroxypropyl)-3,7-dimethyl-, (3S,3aR,7S,8aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 405.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 170.8±21.5 °C
Index of Refraction: 1.487
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.09
ACD/KOC (pH 5.5): 416.74
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.09
ACD/KOC (pH 7.4): 416.74
Polar Surface Area: 47 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

Click to predict properties on the Chemicalize site






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