Found 4 results

Search term: IDGNDQYOCKRQMV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3E,5R,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-tetramethyloxacyclotetradeca-3,9-dien-2-one | C17H28O4

(3E,5R,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-tetramethyloxacyclotetradeca-3,9-dien-2-one

  • Molecular FormulaC17H28O4
  • Average mass296.402 Da
  • Monoisotopic mass296.198761 Da
  • ChemSpider ID74155758

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3E,5R,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-tetramethyloxacyclotetradeca-3,9-dien-2-on [German] [ACD/IUPAC Name]
(3E,5R,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-tetramethyloxacyclotetradeca-3,9-dien-2-one [ACD/IUPAC Name]
(3E,5R,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-tétraméthyloxacyclotétradéca-3,9-dién-2-one [French] [ACD/IUPAC Name]
Oxacyclotetradeca-3,9-dien-2-one, 5,8-dihydroxy-5,9,13,14-tetramethyl-, (3E,5R,8S,9Z,13S,14R)- [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: 475.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 167.5±22.2 °C
Index of Refraction: 1.477
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.36
ACD/KOC (pH 5.5): 1079.89
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.36
ACD/KOC (pH 7.4): 1079.88
Polar Surface Area: 67 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 292.9±3.0 cm3

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