Structure Database (LMSD)

Common Name
6,7-methylene-pentadecanoic acid
Systematic Name
6,7-methylene-pentadecanoic acid
Synonyms
  • 2-Octylcyclopropanepentanoic acid
LM ID
LMFA01140044
Status
Active
Exact Mass
Calculate m/z
254.22458
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)
YPMKDOYCNARBES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-10-14-13-15(14)11-8-9-12-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C1(CCCCC(O)=O)CC1CCCCCCCC

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 287.94
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.02
Molar Refractivity 75.69

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Created at
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Updated at
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