Structure Database (LMSD)

Common Name
11-Cycloheptylundecanoic acid
Systematic Name
11-Cycloheptylundecanoic acid
Synonyms
LM ID
LMFA01140008
Status
Active
Exact Mass
Calculate m/z
282.25588
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)
OMZUUGOYASJZKP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)
SMILES (Click to copy)
C1CCCCCC1CCCCCCCCCCC(=O)O

References

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

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 322.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.94
Molar Refractivity 85.00

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Created at
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Updated at
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