Structure database (LMSD)

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LM IDLMPK15030016
Common Name5-((Z)-non-2-en-1-yl)resorcinol
Systematic Name(Z)-5-(non-2-en-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
234.1620 (neutral)    Calculate m/z:
FormulaC15H22O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID10704873
InChIKeyVKWFGJNPZKSIEL-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,
9H2,1H3/b8-7-
SMILESC1(O)C=C(C/C=C\CCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic Rings1Rotatable Bonds7
 van der Waals
Molecular Volume
251.82Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.17Molar
Refractivity
71.37