Structure Database (LMSD)

Common Name
4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene
Systematic Name
4,8,12-Trimethyl-1,3E,7E,11-tridecatetraene
Synonyms
LM ID
LMFA11000047
Status
Active
Exact Mass
Calculate m/z
220.2191
Formula
C16H28
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
XVIPCWLIFRBCRP-RNPYNJAESA-N
InChi (Click to copy)
InChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h9-10,13H,6-8,11-12H2,1-5H3/b15-9+,16-13+
SMILES (Click to copy)
CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
187297
PubChem CID
20200974

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 277.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.82
Molar Refractivity 75.70

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Updated at
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