Structure database (LMSD)

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LM IDLMFA06000098
Common NameStearaldehyde
Systematic Nameoctadecanal
Synonyms-
Exact Mass
268.2766 (neutral)    Calculate m/z:
FormulaC18H36O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 18:0
PubChem CID12533
KEGG IDC01838
HMDB IDHMDB0002384
CHEBI ID17034
SWISSLIPIDS IDSLM:000389945
InChIKeyFWWQKRXKHIRPJY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
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SMILES
C(CCCCCCCC)CCCCCCCCC([H])=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
326.11Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP6.45Molar
Refractivity
85.61