Structure database (LMSD)

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LM IDLMPK15030023
Common Name(Z)-5-(heptadec-2-en-1-yl)resorcinol
Systematic Name(Z)-5-(heptadec-2-en-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
346.2872 (neutral)    Calculate m/z:
FormulaC23H38O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID126457709
InChIKeyBPEIRDYFAYZUNF-NXVVXOECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-2
1/h15-16,18-20,24-25H,2-14,17H2,1H3/b16-15-
SMILESC1(O)C=C(C/C=C\CCCCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds15
 van der Waals
Molecular Volume
390.22Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.29Molar
Refractivity
108.31