Structure Database (LMSD)

Common Name
5-heptacosylresorcinol
Systematic Name
5-heptacosylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030013
Status
Active
Exact Mass
Calculate m/z
488.45933
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)
LNHZINSBVLHRFL-UHFFFAOYSA-N
InChi (Click to copy)
1S/C33H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-28-32(34)30-33(35)29-31/h28-30,34-35H,2-27H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 1
Aromatic Rings 1
Rotatable Bonds 26
Van der Waals Molecular Volume 565.86
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.41
Molar Refractivity 154.57

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Created at
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Updated at
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