Found 6 results

Search term: CWUVZQMWRPJSFS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl {(3S,4R,6S)-4-ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1,2-dioxan-3-yl}acetate | C18H32O4

Methyl {(3S,4R,6S)-4-ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1,2-dioxan-3-yl}acetate

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID24690024

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

{(3S,4R,6S)-4-Éthyl-6-[(3E)-2-éthyl-3-hexén-1-yl]-6-méthyl-1,2-dioxan-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 4-ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-, methyl ester, (3S,4R,6S)- [ACD/Index Name]
Methyl {(3S,4R,6S)-4-ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1,2-dioxan-3-yl}acetate [ACD/IUPAC Name]
Methyl-{(3S,4R,6S)-4-ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1,2-dioxan-3-yl}acetat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457590/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 350.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 146.3±19.3 °C
Index of Refraction: 1.445
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3924.38
ACD/KOC (pH 5.5): 13002.13
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3924.38
ACD/KOC (pH 7.4): 13002.13
Polar Surface Area: 45 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 332.7±3.0 cm3

Click to predict properties on the Chemicalize site


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