Structure Database (LMSD)

Common Name
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
Systematic Name
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
Synonyms
LM ID
LMFA11000054
Formula
C13H20
Exact Mass
Calculate m/z
176.1565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Carpophilus hemipterus (#913120)
Insecta (#50557)
Aggregation pheromone of driedfruit beetle,Carpophilus hemipterus Wind-tunnel bioassay and identification of two novel tetraene hydrocarbons.,
J Chem Ecol, 1990
Pubmed ID: 24263709

String Representations

InChiKey (Click to copy)
RRPFGKUHEMWGSW-RYNMLCPOSA-N
InChi (Click to copy)
InChI=1S/C13H20/c1-6-8-12(4)10-13(5)9-11(3)7-2/h6-10H,1-5H3/b8-6+,11-7+,12-10+,13-9+
SMILES (Click to copy)
C/C=C(\C)/C=C(\C)/C=C(\C)/C=C/C

Other Databases

CHEBI ID
187711
PubChem CID
14656044

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 222.90
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 61.76

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Created at
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Updated at
10th Sep 2025
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