Structure Database (LMSD)

HO OH
Common Name
5-tridecylresorcinol
Systematic Name
5-tridecylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030011
Formula
C19H32O2
Exact Mass
Calculate m/z
292.24023
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
UXOGOSLLGMYCNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

KEGG ID
C10800
CHEBI ID
5545
PubChem CID
174862

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 323.66
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.95
Molar Refractivity 89.94

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Updated at
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