Structure Database (LMSD)

Common Name
Furanoid acid - F6
Systematic Name
12,15-epoxy-13,14-dimethyl-12,14-eicosadienoic acid
Synonyms
  • 11-(3,4-dimethyl-5-pentylfuran-2-yl)-undecanoic acid
LM ID
LMFA01150002
Status
Active
Exact Mass
Calculate m/z
350.282095
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)
MCTXSZNBSIMKTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCC1OC(CCCCC)=C(C)C=1C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 384.35
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.77
Molar Refractivity 104.30

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Updated at
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