Structure Database (LMSD)

Common Name
2,6,10-Trimethyl-(E,E)-2,6,10,12-tridecatetraene
Systematic Name
2,6,10-Trimethyl-(E,E)-2,6,10,12-tridecatetraene
Synonyms
LM ID
LMFA11000335
Formula
C16H26
Exact Mass
Calculate m/z
218.20345
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)
CWLVBFJCJXHUCF-RNPYNJAESA-N
InChi (Click to copy)
InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/C=C

Other Databases

CHEBI ID
74322
PubChem CID
6443227

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 274.80
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.59
Molar Refractivity 75.61

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Created at
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Updated at
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