Structure Database (LMSD)

Common Name
5,6-methylene-tridecanoic acid
Systematic Name
5,6-methylene-tridecanoic acid
Synonyms
  • 2-Heptylcyclopropanebutanoic acid
LM ID
LMFA01140047
Status
Active
Exact Mass
Calculate m/z
226.19328
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KWRQIHPPLYNYJK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-8-12-11-13(12)9-7-10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
SMILES (Click to copy)
C1(CCCC(O)=O)CC1CCCCCCC

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 253.34
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 66.46

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Created at
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Updated at
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