ChemSpider 2D Image | (2S,5S)-5-Hydroxy-2-[(1E)-1-octen-1-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one | C16H24O3

(2S,5S)-5-Hydroxy-2-[(1E)-1-octen-1-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one

  • Molecular FormulaC16H24O3
  • Average mass264.360 Da
  • Monoisotopic mass264.172546 Da
  • ChemSpider ID40256651

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-5-Hydroxy-2-[(1E)-1-octen-1-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-on [German] [ACD/IUPAC Name]
(2S,5S)-5-Hydroxy-2-[(1E)-1-octen-1-yl]-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one [ACD/IUPAC Name]
(2S,5S)-5-Hydroxy-2-[(1E)-1-octén-1-yl]-3,5,6,7-tétrahydro-1-benzofuran-4(2H)-one [French] [ACD/IUPAC Name]
4(2H)-Benzofuranone, 3,5,6,7-tetrahydro-5-hydroxy-2-[(1E)-1-octen-1-yl]-, (2S,5S)- [ACD/Index Name]
Trichoketide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 149.3±22.2 °C
Index of Refraction: 1.527
Molar Refractivity: 74.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.61
ACD/KOC (pH 5.5): 2042.42
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.61
ACD/KOC (pH 7.4): 2042.41
Polar Surface Area: 47 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 243.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement