Structure Database (LMSD)

Common Name
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
Systematic Name
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
Synonyms
LM ID
LMFA11000055
Formula
C14H22
Exact Mass
Calculate m/z
190.17215
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
PEQDBIZKCMKPKU-VTCWLERASA-N
InChi (Click to copy)
InChI=1S/C14H22/c1-6-8-9-13(4)11-14(5)10-12(3)7-2/h7-11H,6H2,1-5H3/b9-8+,12-7+,13-11+,14-10+
SMILES (Click to copy)
C/C=C(\C)/C=C(\C)/C=C(\C)/C=C/CC

Other Databases

CHEBI ID
176871
PubChem CID
14656047

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 240.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.81
Molar Refractivity 66.38

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Created at
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Updated at
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