Structure Database (LMSD)

Common Name
3-methyl-tridecanedioic acid
Systematic Name
3-methyl-tridecanedioic acid
Synonyms
LM ID
LMFA01170016
Status
Active
Exact Mass
Calculate m/z
258.18311
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)
XGGBLUZXXAOZCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O4/c1-12(11-14(17)18)9-7-5-3-2-4-6-8-10-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
SMILES (Click to copy)
C(CC(C)CCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
5312
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 280.64
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.69
Molar Refractivity 70.61

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Created at
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Updated at
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