Structure Database (LMSD)

Common Name
2,6,10-trimethyl-undecanoic acid
Systematic Name
2,6,10-trimethyl-undecanoic acid
Synonyms
LM ID
LMFA01020285
Formula
C14H28O2
Exact Mass
Calculate m/z
228.20893
Sum Composition
FA 14:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
QFIWFUDXERFOIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)
SMILES (Click to copy)
C(=O)(O)C(C)CCCC(C)CCCC(C)C

Other Databases

HMDB ID
HMDB0002221
CHEBI ID
179778
PubChem CID
3047764

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 265.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.34
Molar Refractivity 68.50

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Created at
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Updated at
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