Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000110
Common Name3Z-hexenal
Systematic Name3Z-hexenal
Synonyms-
Exact Mass
98.0732 (neutral)    Calculate m/z:
FormulaC6H10O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 6:1
PubChem CID643941
KEGG IDC16310
HMDB IDHMDB0031498
CHEBI ID23292
InChIKeyGXANMBISFKBPEX-ARJAWSKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
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SMILES
C(C/C=C\CC)=O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
115.87Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP1.54Molar
Refractivity
30.11