Structure database (LMSD)

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LM IDLMPK15030035
Common Name5-((Z)-henicos-8-en-1-yl)resorcinol
Systematic Name(Z)-5-(henicos-8-en-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
402.3498 (neutral)    Calculate m/z:
FormulaC27H46O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID126457712
InChIKeyHODPEVWNOVKINH-YPKPFQOOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)2
4-27(29)23-25/h13-14,22-24,28-29H,2-12,15-21H2,1H3/b14-13-
SMILESC1(O)C=C(CCCCCCC/C=C\CCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings1Aromatic Rings1Rotatable Bonds19
 van der Waals
Molecular Volume
459.42Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP8.85Molar
Refractivity
126.78