Structure database (LMSD)

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LM IDLMFA06000040
Common NamePelargonaldehyde (W)
Systematic Namenonanal
Synonyms-
Exact Mass
142.1358 (neutral)    Calculate m/z:
FormulaC9H18O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
PubChem CID31289
HMDB IDHMDB0059835
InChIKeyGYHFUZHODSMOHU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
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SMILES
C(CCCCCCC([H])=O)C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
170.41Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.94Molar
Refractivity
44.06