Structure Database (LMSD)

Common Name
Ketochaulmoogric acid
Systematic Name
13-(1-Cyclopentenyl)-3-oxo-tridecanoic acid
Synonyms
  • 13-(1-Cyclopentenyl)-3-keto-tridecanoic acid
LM ID
LMFA01140048
Status
Active
Exact Mass
Calculate m/z
294.219495
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)
KZARRJOZVBLBIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c19-17(15-18(20)21)14-8-6-4-2-1-3-5-7-11-16-12-9-10-13-16/h12H,1-11,13-15H2,(H,20,21)
SMILES (Click to copy)
C(O)(=O)CC(=O)CCCCCCCCCCC1CCCC=1

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.05
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.04
Molar Refractivity 85.36

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Created at
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Updated at
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