Structure Database (LMSD)

HO OH
Common Name
5-((Z)-pentadec-4-en-1-yl)resorcinol
Systematic Name
(Z)-5-(pentadec-4-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030018
Formula
C21H34O2
Exact Mass
Calculate m/z
318.25588
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)
RWHCLPULTXTANR-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h11-12,16-18,22-23H,2-10,13-15H2,1H3/b12-11-
SMILES (Click to copy)
C1(O)C=C(CCC/C=C\CCCCCCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID
15719517

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 355.62
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.51
Molar Refractivity 99.08

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Updated at
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