Structure database (LMSD)

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LM IDLMFA06000028
Common NameCaprylaldehyde (W)
Systematic Nameoctanal
SynonymsCaprylic aldehyde
Exact Mass
128.1201 (neutral)    Calculate m/z:
FormulaC8H16O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
PubChem CID454
KEGG IDC01545
HMDB IDHMDB0001140
CHEBI ID17935
SWISSLIPIDS IDSLM:000389951
InChIKeyNUJGJRNETVAIRJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
SMILESCCCCCCCC([H])=O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
153.11Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.55Molar
Refractivity
39.44