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(E)-2-Tridecyl-2-heptadecenal

PubChem CID: 11122959

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Compound Synonyms (E)-2-Tridecyl-2-heptadecenal, CHEMBL489549
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 31.0
Isotope Atom Count 0.0
Molecular Complexity 371.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-2-tridecylheptadec-2-enal
Prediction Hob 0.0
Xlogp 14.2
Molecular Formula C30H58O
Prediction Swissadme 0.0
Inchi Key WPASVKPMONFFCM-SJCQXOIGSA-N
Fcsp3 0.9
Logs -7.582
Rotatable Bond Count 26.0
Logd 5.276
Compound Name (E)-2-Tridecyl-2-heptadecenal
Prediction Hob Swissadme 0.0
Exact Mass 434.449
Formal Charge 0.0
Monoisotopic Mass 434.449
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 434.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -9.790916600000003
Inchi InChI=1S/C30H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-30(29-31)27-25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3/b30-28+
Smiles CCCCCCCCCCCCCC/C=C(\CCCCCCCCCCCCC)/C=O
Nring 0.0
Defined Bond Stereocenter Count 1.0