Structure Database (LMSD)

OH O
Common Name
Anteisoundecanoic acid
Systematic Name
8-methyl-decanoic acid
Synonyms
LM ID
LMFA01020187
Formula
Exact Mass
Calculate m/z
186.16198
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
WGKCPRZDCLXOIQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCCC(C)CC)(=O)O

References

Other Databases

LIPIDAT ID
1710
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.46
Molar Refractivity 54.79

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Created at
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Updated at
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