Structure Database (LMSD)

Common Name
2R-methyl-dodecanoic acid
Systematic Name
2R-methyl-dodecanoic acid
Synonyms
  • Dodecanoic acid, 2-methyl-, (R)-
LM ID
LMFA01020262
Formula
Exact Mass
Calculate m/z
214.19328
Sum Composition
Status
Curated

Classification

String Representations

InChiKey (Click to copy)
ONEKODVPFBOORO-GFCCVEGCSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/t12-/m1/s1
SMILES (Click to copy)
C([C@H](C)CCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5142
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 64.03

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Created at
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Updated at
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