Structure Database (LMSD)

Common Name
3-Methylundecane
Systematic Name
3-Methylundecane
Synonyms
LM ID
LMFA11000410
Formula
C12H26
Exact Mass
Calculate m/z
170.20345
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)
HTZWVZNRDDOFEI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCC

Other Databases

PubChem CID
13845

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 216.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.78
Molar Refractivity 57.45

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Updated at
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