Structure Database (LMSD)

Common Name
3-methyl-hexadecanedioic acid
Systematic Name
3-methyl-hexadecanedioic acid
Synonyms
LM ID
LMFA01170024
Status
Active
Exact Mass
Calculate m/z
300.23006
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)
RMCPRRDMUKXQID-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O4/c1-15(14-17(20)21)12-10-8-6-4-2-3-5-7-9-11-13-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
SMILES (Click to copy)
C(CC(C)CCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
5187
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.54
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.86
Molar Refractivity 84.46

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Created at
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Updated at
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