Structure Database (LMSD)

Common Name
2,6-dimethyl-undecanoic acid
Systematic Name
2,6-dimethyl-undecanoic acid
Synonyms
LM ID
LMFA01020034
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
FA 13:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
IWXDJEKSYPEGNS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-4-5-6-8-11(2)9-7-10-12(3)13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)
SMILES (Click to copy)
C(C)CCCC(C)CCCC(C)C(=O)O

References

Other Databases

CHEBI ID
180105
LIPIDBANK ID
DFA7002
PubChem CID
5282615

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.09
Molar Refractivity 63.96

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Created at
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Updated at
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