Structure Database (LMSD)

OH O
Common Name
2-ethyl-2-methyl-butanoic acid
Systematic Name
2-ethyl-2-methyl-butanoic acid
Synonyms
LM ID
LMFA01020146
Formula
C7H14O2
Exact Mass
Calculate m/z
130.09938
Sum Composition
FA 7:0
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)
LHJPKLWGGMAUAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-4-7(3,5-2)6(8)9/h4-5H2,1-3H3,(H,8,9)
SMILES (Click to copy)
CCC(C)(CC)C(=O)O

References

Other Databases

CHEBI ID
180006
LIPIDBANK ID
DFA7114
PubChem CID
29846

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.90
Molar Refractivity 36.32

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Created at
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Updated at
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