Structure Database (LMSD)

Common Name
10-Undecen-2-one
Systematic Name
10-Undecen-2-one
Synonyms
LM ID
LMFA12000157
Formula
C11H20O
Exact Mass
Calculate m/z
168.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
FJHNSGVMPSITEQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3
SMILES (Click to copy)
CC(=O)CCCCCCCC=C

Other Databases

HMDB ID
HMDB0033577
CHEBI ID
169645
PubChem CID
118928

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 202.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.49
Molar Refractivity 53.20

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Created at
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Updated at
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