Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000074
Common Nametridecanal
Systematic Nametridecanal
Synonyms-
Exact Mass
198.1984 (neutral)    Calculate m/z:
FormulaC13H26O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 13:0
PubChem CID25311
HMDB IDHMDB0030928
CHEBI ID89816
InChIKeyBGEHHAVMRVXCGR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
Click to highlight InChI
SMILES
C(CCC)CCCCCCCCC([H])=O
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
239.61Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.50Molar
Refractivity
62.53