Structure Database (LMSD)

Common Name
31-Methyl-6-dotricontene
Systematic Name
31-Methyl-6-dotricontene
Synonyms
LM ID
LMFA11000391
Formula
C33H66
Exact Mass
Calculate m/z
462.51645
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)
HXYFZNROGVONPX-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C33H66/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(2)3/h8-9,33H,4-7,10-32H2,1-3H3/b9-8+
SMILES (Click to copy)
CCCCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCC(C)C

Other Databases

PubChem CID
56936175

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 576.82
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.75
Molar Refractivity 154.31

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Created at
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Updated at
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