Structure Database (LMSD)

Common Name
2-methyl-hexanoic acid
Systematic Name
2-methyl-hexanoic acid
Synonyms
LM ID
LMFA01020080
Formula
Exact Mass
Calculate m/z
130.09938
Sum Composition
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
CVKMFSAVYPAZTQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C(CC)CC(C)C(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA7048
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
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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