Structure Database (LMSD)

Common Name
13,14-methylene-docosanoic acid
Systematic Name
13,14-methylene-docosanoic acid
Synonyms
  • Cyclopropanedodecanoic acid, 2-octyl-
LM ID
LMFA01140046
Status
Active
Exact Mass
Calculate m/z
352.33413
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)
KTAYKDBBVGXYBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O2/c1-2-3-4-5-11-14-17-21-20-22(21)18-15-12-9-7-6-8-10-13-16-19-23(24)25/h21-22H,2-20H2,1H3,(H,24,25)
SMILES (Click to copy)
C1(CCCCCCCCCCCC(O)=O)CC1CCCCCCCC

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 409.04
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.75
Molar Refractivity 108.01

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Created at
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Updated at
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