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(Z)-2-ethyloctadec-9-enoate

PubChem CID: 53628806

Connections displayed (default: 10).
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Topological Polar Surface Area 40.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 265.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (Z)-2-ethyloctadec-9-enoate
Prediction Hob 0.0
Xlogp 8.8
Molecular Formula C20H37O2-
Prediction Swissadme 0.0
Inchi Key DXOFMKNITCKTIS-QXMHVHEDSA-M
Fcsp3 0.85
Logs -3.394
Rotatable Bond Count 15.0
Logd 4.056
Compound Name (Z)-2-ethyloctadec-9-enoate
Prediction Hob Swissadme 0.0
Exact Mass 309.279
Formal Charge -1.0
Monoisotopic Mass 309.279
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 309.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -6.6249868
Inchi InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H,21,22)/p-1/b12-11-
Smiles CCCCCCCC/C=C\CCCCCCC(CC)C(=O)[O-]
Nring 0.0
Defined Bond Stereocenter Count 1.0