Structure Database (LMSD)

Common Name
13-Cyclohexyltridecanoic acid
Systematic Name
13-Cyclohexyltridecanoic acid
Synonyms
LM ID
LMFA01140009
Status
Active
Exact Mass
Calculate m/z
296.27153
Formula
C19H36O2
Abbrev
FA 19:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
JBTBXKNLITZKLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h18H,1-17H2,(H,20,21)
SMILES (Click to copy)
C(CCCC1CCCCC1)CCCCCCCCC(O)=O

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

Other Databases

CHEBI ID
187707
PubChem CID
23498411

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 339.84
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.33
Molar Refractivity 89.61

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Updated at
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