Structure Database (LMSD)

Common Name
11-Cyclohexylundecanoic acid
Systematic Name
11-Cyclohexylundecanoic acid
Synonyms
LM ID
LMFA01140007
Status
Active
Exact Mass
Calculate m/z
268.24023
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)
WFTPSUGFEZHCGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
SMILES (Click to copy)
C1CC(CCCCCCCCCCC(=O)O)CCC1

References

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.55
Molar Refractivity 80.38

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Created at
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Updated at
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