Structure Database (LMSD)

Common Name
Nonan-3-one
Systematic Name
Nonan-3-one
Synonyms
LM ID
LMFA12000053
Formula
C9H18O
Exact Mass
Calculate m/z
142.135765
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
IYTXKIXETAELAV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
SMILES (Click to copy)
CCC(=O)CCCCCC

Other Databases

HMDB ID
HMDB0031267
CHEBI ID
179605
PubChem CID
61235

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.94
Molar Refractivity 44.06

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Created at
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Updated at
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