Structure database (LMSD)

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LM IDLMFA06000071
Common NameLaurylaldehyde
Systematic Namedodecanal
SynonymsLauric aldehyde
Exact Mass
184.1827 (neutral)    Calculate m/z:
FormulaC12H24O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
PubChem CID8194
KEGG IDC02278
HMDB IDHMDB0033933
CHEBI ID27836
SWISSLIPIDS IDSLM:000389974
InChIKeyHFJRKMMYBMWEAD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
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SMILES
C(CC)CCCCCCCCC([H])=O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
222.31Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.11Molar
Refractivity
57.91