Structure Database (LMSD)

Common Name
9-HpOTrE
Systematic Name
9-hydroperoxy-10E,12,15Z-octadecatrienoic acid
Synonyms
LM ID
LMFA02000108
Status
Active
Exact Mass
Calculate m/z
310.21441
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)
RWKJTIHNYSIIHW-UNAQAUQESA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6+,14-11+
SMILES (Click to copy)
C(=C/C=C/C/C=C\CC)\C(OO)CCCCCCCC(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 344.56
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.59
Molar Refractivity 90.16

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Updated at
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