Structure Database (LMSD)

Common Name
Undecan-6-one
Systematic Name
Undecan-6-one
Synonyms
LM ID
LMFA12000062
Formula
C11H22O
Exact Mass
Calculate m/z
170.167065
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

InChiKey (Click to copy)
ZPQAKYPOZRXKFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
SMILES (Click to copy)
CCCCCC(=O)CCCCC

Other Databases

HMDB ID
HMDB0030943
CHEBI ID
165748
PubChem CID
13561

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 205.01
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.72
Molar Refractivity 53.29

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Created at
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Updated at
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