Structure database (LMSD)

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LM IDLMPK15030008
Common Name5-pentylresorcinol
Systematic Name5-pentylbenzene-1,3-diol
Synonyms-
Exact Mass
180.1150 (neutral)    Calculate m/z:
FormulaC11H16O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID10377
InChIKeyIRMPFYJSHJGOPE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
SMILESC1(O)C=C(CCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings1Aromatic Rings1Rotatable Bonds4
 van der Waals
Molecular Volume
185.26Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.83Molar
Refractivity
53.00