Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000001
Common NameEnanthaldehyde
Systematic Nameheptanal
Synonyms-
Exact Mass
114.1045 (neutral)    Calculate m/z:
FormulaC7H14O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
LIPIDBANK IDDLD0018
PubChem CID8130
KEGG IDC14390
HMDB IDHMDB0031475
CHEBI ID34787
SWISSLIPIDS IDSLM:000389952
InChIKeyFXHGMKSSBGDXIY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
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SMILES
C([H])(CCCCCC)=O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
135.81Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.16Molar
Refractivity
34.82