Structure Database (LMSD)

HO OH
Common Name
5-nonylresorcinol
Systematic Name
5-nonylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030009
Formula
C15H24O2
Exact Mass
Calculate m/z
236.17763
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)
OYXWBGYHDYVIDT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h10-12,16-17H,2-9H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID
14462134

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 1
Rotatable Bonds 8
Van der Waals Molecular Volume 254.46
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.39
Molar Refractivity 71.47

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Updated at
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