Structure database (LMSD)

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LM IDLMPK15030020
Common Name5-((Z)-pentadec-10-en-1-yl)resorcinol
Systematic Name(Z)-5-(pentadec-10-en-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
318.2559 (neutral)    Calculate m/z:
FormulaC21H34O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID89722819
InChIKeyBGXAZEDJUHQDEM-WAYWQWQTSA-N  Show lipids differing only in stereochemistry/bond geometry
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/h5-6,16-18,22-23H,2-4,7-15H2,1H3/b6-5-
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SMILES
C1(O)C=C(CCCCCCCCC/C=C\CCCC)C=C(O)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
355.62Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.51Molar
Refractivity
99.08