Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000065
Common Name2-undecenal
Systematic Name2-undecenal
Synonyms-
Exact Mass
168.1514 (neutral)    Calculate m/z:
FormulaC11H20O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 11:1
PubChem CID5283356
HMDB IDHMDB0040247
CHEBI ID132843
InChIKeyPANBRUWVURLWGY-MDZDMXLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
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SMILES
C(C)CCCCCC/C=C/C([H])=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
202.37Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.49Molar
Refractivity
53.20