ChemSpider 2D Image | (5S,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-6,9-dien-2-one | C18H30O4

(5S,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-6,9-dien-2-one

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID24022670

  • 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

(5S,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-6,9-dien-2-on [German] [ACD/IUPAC Name]
(5S,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-6,9-dien-2-one [ACD/IUPAC Name]
(5S,6E,8S,9E,13S,14R)-5-Hydroxy-8-méthoxy-5,9,13,14-tétraméthyloxacyclotétradéca-6,9-dién-2-one [French] [ACD/IUPAC Name]
67003-69-4 [RN]
Oxacyclotetradeca-6,9-dien-2-one, 5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-, (5S,6E,8S,9E,13S,14R)- [ACD/Index Name]
Dihydroalbocycline

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

Density: 1.0±0.1 g/cm3
Boiling Point: 459.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 157.5±22.2 °C
Index of Refraction: 1.495
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.52
ACD/KOC (pH 5.5): 1865.81
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.52
ACD/KOC (pH 7.4): 1865.81
Polar Surface Area: 56 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

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