Structure Database (LMSD)

O
Common Name
1,13-Tetradecadien-3-one
Systematic Name
1,13-Tetradecadien-3-one
Synonyms
LM ID
LMFA12000175
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)
XTFWXOWQURZTRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3H,1,4-13H2,2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCCC=C

References

Other Databases

CHEBI ID
165747
PubChem CID
56936218

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
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

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Created at
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Updated at
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