Structure Database (LMSD)

Common Name
6-Ethyl-4-methyl-3E,5E,7E-decatriene
Systematic Name
6-Ethyl-4-methyl-3E,5E,7E-decatriene
Synonyms
LM ID
LMFA11000053
Formula
C13H22
Exact Mass
Calculate m/z
178.17215
Status
Curated
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)
XVFSRVJYTDFHHZ-GCMZYXHCSA-N
InChi (Click to copy)
InChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,13-11+
SMILES (Click to copy)
CC/C=C(\C)/C=C(\CC)/C=C/CC

Other Databases

CHEBI ID
187338
PubChem CID
56936065

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 225.54
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.65
Molar Refractivity 61.85

Admin

Created at
-
Updated at
-