Structure Database (LMSD)

Common Name
5-Ethyl-3-methyl-2E,4E,6E-nonatriene
Systematic Name
5-Ethyl-3-methyl-2E,4E,6E-nonatriene
Synonyms
LM ID
LMFA11000051
Formula
C12H20
Exact Mass
Calculate m/z
164.1565
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)
CCGOFOHHWSKWIK-GOZCNEPISA-N
InChi (Click to copy)
InChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-10+
SMILES (Click to copy)
C/C=C(\C)/C=C(\CC)/C=C/CC

Other Databases

CHEBI ID
187309
PubChem CID
11805103

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 208.24
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.26
Molar Refractivity 57.24

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Created at
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Updated at
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