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
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

PubChem CID

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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Created at
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Updated at
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