Structure database (LMSD)

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LM IDLMFA12000053
Common NameNonan-3-one
Systematic NameNonan-3-one
Synonyms-
Exact Mass
142.1358 (neutral)    Calculate m/z:
FormulaC9H18O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID61235
HMDB IDHMDB0031267
InChIKeyIYTXKIXETAELAV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
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SMILES
CCC(=O)CCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
170.41Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.94Molar
Refractivity
44.06