Structure Database (LMSD)

Common Name
22Z-Hentriacontenoic acid
Systematic Name
22Z-Hentriacontenoic acid
Synonyms
  • 22-Hentriacontenoic acid, (22Z)-
LM ID
LMFA01031113
Status
Active
Exact Mass
Calculate m/z
464.45933
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)
YGEBMTZEPHPZQK-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C31H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h9-10H,2-8,11-30H2,1H3,(H,32,33)/b10-9-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 557.16
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.18
Molar Refractivity 147.11

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Created at
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Updated at
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