Structure Database (LMSD)

Common Name
4Z,7Z-Hexadecadienoic acid
Systematic Name
4Z,7Z-Hexadecadienoic acid
Synonyms
  • 4,7-Hexadecadienoic acid, (Z,Z)-
  • Z,Z-4,7-Hexadecadienoic acid
  • Hexadeca-4c,7c-dienoic acid
LM ID
LMFA01031050
Status
Active
Exact Mass
Calculate m/z
252.20893
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)
CQHASUVQRDMWKB-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\CCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.1
Molar Refractivity 77.76

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Created at
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Updated at
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