Structure Database (LMSD)

Common Name
Tetradecanedioic acid
Systematic Name
Tetradecanedioic acid
Synonyms
LM ID
LMFA01170018
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)
HQHCYKULIHKCEB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
1815
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 280.64
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.84
Molar Refractivity 70.68

Admin

Created at
-
Updated at
-