Structure Database (LMSD)

Common Name
3,7-Dimethylundecane
Systematic Name
3,7-Dimethylundecane
Synonyms
LM ID
LMFA11000388
Formula
C13H28
Exact Mass
Calculate m/z
184.2191
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)
QQWXDSCYXKZATG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28/c1-5-7-9-13(4)11-8-10-12(3)6-2/h12-13H,5-11H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCC

Other Databases

CHEBI ID
139058
PubChem CID
519387

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 233.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.03
Molar Refractivity 62.00

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Created at
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Updated at
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