Structure Database (LMSD)

Common Name
13-keto-9Z-octadecenoic acid
Systematic Name
13-Oxo-9Z-octadecenoic acid
Synonyms
  • (Z)-13-Oxo-9-octadecenoic acid
  • 9(Z)-13-oxo-OME
LM ID
LMFA01060201
Formula
Exact Mass
Calculate m/z
296.235145
Sum Composition
Status
Curated

Classification

String Representations

InChiKey (Click to copy)
LDYZTLZOFONHNA-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCC(=O)CCCCC)(=O)O

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.29
Molar Refractivity 87.48

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Created at
-
Updated at
15th Nov 2024