Structure Database (LMSD)

Common Name
2,6-dimethyl-nonadecanoic acid
Systematic Name
2,6-dimethyl-nonadecanoic acid
Synonyms
LM ID
LMFA01020033
Status
Active
Exact Mass
Calculate m/z
326.31848
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)
HYMJVTSGFBXLEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18-20(3)21(22)23/h19-20H,4-18H2,1-3H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCC)CCCC(C)CCCC(C)C(=O)O

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.21
Molar Refractivity 100.89

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Created at
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Updated at
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