Structure Database (LMSD)

Common Name
3,6,9-Heptacosatriene
Systematic Name
3,6,9-Heptacosatriene
Synonyms
LM ID
LMFA11000367
Formula
C27H50
Exact Mass
Calculate m/z
374.39125
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)
CKIYZZGJUHRLBO-LFMRXJBFSA-N
InChi (Click to copy)
InChI=1S/C27H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-27H2,1-2H3/b7-5+,13-11+,19-17+
SMILES (Click to copy)
CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936168

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 467.74
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.11
Molar Refractivity 126.49

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Updated at
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