Structure database (LMSD)

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LM IDLMFA07040176
Common NameAvenolide
Systematic Name(4S,10R)-hydroxy-10-methyl-9-oxo-dodec-2-en-1,4-olide
Synonyms-
Exact Mass
240.1362 (neutral)    Calculate m/z:
FormulaC13H20O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 13:3;O2
PubChem CID56833588
InChIKeyUOBYXVHBYDUQMN-GXFFZTMASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H20O4/c1-3-13(2,16)11(14)7-5-4-6-10-8-9-12(15)17-10/h8-10,16H,3-7H2,1-2H3/t10-,13+/m0/s1
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SMILES
C([C@H]1C=CC(=O)O1)CCCC(=O)[C@](C)(O)CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic RingsRotatable Bonds7
 van der Waals
Molecular Volume
248.34Topological Polar
Surface Area
65.67Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP2.33Molar
Refractivity
64.43