Found 13 results

Search term: MF = 'C_{20}H_{29}ClO_{5}'
ChemSpider 2D Image | (3R,5S,7Z,9S,12E,14S)-7-Chloro-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methyleneoxacyclotetradeca-7,12-diene-2,4-dione | C20H29ClO5

(3R,5S,7Z,9S,12E,14S)-7-Chloro-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methyleneoxacyclotetradeca-7,12-diene-2,4-dione

  • Molecular FormulaC20H29ClO5
  • Average mass384.894 Da
  • Monoisotopic mass384.170349 Da
  • ChemSpider ID23130154

  • 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

(3R,5S,7Z,9S,12E,14S)-7-Chlor-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methylenoxacyclotetradeca-7,12-dien-2,4-dion [German] [ACD/IUPAC Name]
(3R,5S,7Z,9S,12E,14S)-7-Chloro-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methyleneoxacyclotetradeca-7,12-diene-2,4-dione [ACD/IUPAC Name]
(3R,5S,7Z,9S,12E,14S)-7-Chloro-14-éthyl-5-hydroxy-5-(hydroxyméthyl)-3,9,13-triméthyl-11-méthylèneoxacyclotétradéca-7,12-diène-2,4-dione [French] [ACD/IUPAC Name]
(3R,5S,7Z,9S,12E,14S)-7-chloro-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methylideneoxacyclotetradeca-7,12-diene-2,4-dione
Oxacyclotetradeca-7,12-diene-2,4-dione, 7-chloro-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methylene-, (3R,5S,7Z,9S,12E,14S)- [ACD/Index Name]
(7Z,12E)-(3R,5S,9S,14S)-7-Chloro-14-ethyl-5-hydroxy-5-hydroxymethyl-3,9,13-trimethyl-11-methylene-oxacyclotetradeca-7,12-diene-2,4-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL286184/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 728.53
ACD/KOC (pH 5.5): 3895.28
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 726.43
ACD/KOC (pH 7.4): 3884.02
Polar Surface Area: 84 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 328.5±5.0 cm3

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