Structure Database (LMSD)

Common Name
4,8,12-trimethyl-tridecanoic acid
Systematic Name
4,8,12-trimethyl-tridecanoic acid
Synonyms
  • Tridecanoic acid, 4,8,12-trimethyl-
  • 4,8,12-Trimethyltridecanoic acid
LM ID
LMFA01020249
Status
Active
Exact Mass
Calculate m/z
256.24023
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)
FUYCAQNCWDAOLQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)
SMILES (Click to copy)
C(CCC(C)CCCC(C)CCCC(C)C)(=O)O

References

Other Databases

LIPIDAT ID
1734
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.12
Molar Refractivity 77.74

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Created at
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Updated at
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