Structure database (LMSD)

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LM IDLMFA06000251
Common NamePentanal (W)
Systematic NamePentanal
Synonyms-
Exact Mass
86.0732 (neutral)    Calculate m/z:
FormulaC5H10O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 5:0
PubChem CID8063
HMDB IDHMDB0031206
CHEBI ID84069
SWISSLIPIDS IDSLM:000399867
InChIKeyHGBOYTHUEUWSSQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
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SMILES
C(CCCC)(=O)[H]
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
101.21Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP1.38Molar
Refractivity
25.59