Structure Database (LMSD)

HO OH
Common Name
5-((Z)-tridec-8-en-1-yl)resorcinol
Systematic Name
(Z)-5-(tridec-8-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030017
Formula
C19H30O2
Exact Mass
Calculate m/z
290.22458
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)
ILUMNMFPGSFYMK-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3/b6-5-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\CCCC)C=C(O)C=1

References

Other Databases

PubChem CID
6454482

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 321.02
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.73
Molar Refractivity 89.84

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Updated at
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