Structure Database (LMSD)

Common Name
5-n-heptadecylresorcinol
Systematic Name
5-heptadecylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030003
Status
Active
Exact Mass
Calculate m/z
348.30283
Formula


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)
BBGNINPPDHJETF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 392.86
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.51
Molar Refractivity 108.40

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Updated at
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