Structure Database (LMSD)

Common Name
9,25-Pentatricontadiene
Systematic Name
9,25-Pentatricontadiene
Synonyms
LM ID
LMFA11000544
Formula
C35H68
Exact Mass
Calculate m/z
488.5321
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)
VUBFGZRCWHKOAI-ZEYSCXRRSA-N
InChi (Click to copy)
InChI=1S/C35H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19-20,22H,3-16,18,21,23-35H2,1-2H3/b19-17+,22-20+
SMILES (Click to copy)
CCCCCCCC/C=C/CCCCCCCCCCCCCC/C=C/CCCCCCCCC

Other Databases

PubChem CID
56936208

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 608.78
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.45
Molar Refractivity 163.52

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Created at
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Updated at
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