Found 1 result

Search term: 78441006 (Found by CSID)
ChemSpider 2D Image | (3S,4S)-3-(4-Hydroxyphenyl)-4-isobutyldihydro-2,5-furandione | C14H16O4

(3S,4S)-3-(4-Hydroxyphenyl)-4-isobutyldihydro-2,5-furandione

  • Molecular FormulaC14H16O4
  • Average mass248.274 Da
  • Monoisotopic mass248.104858 Da
  • ChemSpider ID78441006

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3-(4-Hydroxyphenyl)-4-isobutyldihydro-2,5-furandion [German] [ACD/IUPAC Name]
(3S,4S)-3-(4-Hydroxyphenyl)-4-isobutyldihydro-2,5-furandione [ACD/IUPAC Name]
(3S,4S)-3-(4-Hydroxyphényl)-4-isobutyldihydro-2,5-furanedione [French] [ACD/IUPAC Name]
2,5-Furandione, dihydro-3-(4-hydroxyphenyl)-4-(2-methylpropyl)-, (3S,4S)- [ACD/Index Name]
Cis-3-(4-hydroxyphenyl)-4-isobutyldihydrofuran-2,5-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 166.3±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 142.87
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.14
ACD/KOC (pH 7.4): 141.91
Polar Surface Area: 64 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 206.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement