Structure Database (LMSD)

Common Name
7E-Tetradecen-2-one
Systematic Name
7E-Tetradecen-2-one
Synonyms
LM ID
LMFA12000173
Formula
C14H26O
Exact Mass
Calculate m/z
210.198365
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZFQMGOCRWDJUCX-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8+
SMILES (Click to copy)
CC(=O)CCCC/C=C/CCCCCC

References

Other Databases

CHEBI ID
179500
PubChem CID
11424366

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 254.27
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.66
Molar Refractivity 67.05

Admin

Created at
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Updated at
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