Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000044
Common Name6-nonenal
Systematic Name6-nonenal
Synonyms-
Exact Mass
140.1201 (neutral)    Calculate m/z:
FormulaC9H16O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 9:1
PubChem CID5283338
InChIKeyRTNPCOBSXBGDMO-ONEGZZNKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3+
Click to highlight InChI
SMILES
C(/C=C/CCCCC([H])=O)C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
167.77Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.71Molar
Refractivity
43.96