Found 9 results

Search term: MRDSIEAKMVLPRW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (12Z)-14-Ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methyleneoxacyclotetradeca-7,12-diene-2,4-dione | C21H32O5

(12Z)-14-Ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methyleneoxacyclotetradeca-7,12-diene-2,4-dione

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID74786381

  • Double-bond stereo - Double-bond stereo

More details:

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

(12Z)-14-Ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methyleneoxacyclotetradeca-7,12-diene-2,4-dione [ACD/IUPAC Name]
(12Z)-14-Éthyl-5-hydroxy-5-(hydroxyméthyl)-3,7,9,13-tétraméthyl-11-méthylèneoxacyclotétradéca-7,12-diène-2,4-dione [French] [ACD/IUPAC Name]
(12Z)-14-Ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylenoxacyclotetradeca-7,12-dien-2,4-dion [German] [ACD/IUPAC Name]
Oxacyclotetradeca-7,12-diene-2,4-dione, 14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-, (12Z)- [ACD/Index Name]
100938-27-0 [RN]
14-Ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-dien

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 185.3±23.6 °C
Index of Refraction: 1.519
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.29
ACD/KOC (pH 5.5): 1702.83
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.00
ACD/KOC (pH 7.4): 1700.68
Polar Surface Area: 84 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

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