Structure Database (LMSD)

Common Name
undecan-2-one
Systematic Name
undecan-2-one
Synonyms
LM ID
LMFA12000002
Formula
Exact Mass
Calculate m/z
170.167065
Status
Active


Classification

String Representations

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID

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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