Structure Database (LMSD)

Common Name
methyl 13-butylperoxy-9,11-octadecadienoate
Systematic Name
methyl 13-butylperoxy-9,11-octadecadienoate
Synonyms
LM ID
LMFA01040037
Status
Active
Exact Mass
Calculate m/z
382.30831
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)
GUWYTNFTPALBOJ-AEPWDTSSSA-N
InChi (Click to copy)
InChI=1S/C23H42O4/c1-6-7-15-18-21(26-27-23(2,3)4)19-16-13-11-9-8-10-12-14-17-20-22(24)25-5/h11,13,16,19,21H,6-10,12,14-15,17-18,20H2,1-5H3/b13-11+,19-16+
SMILES (Click to copy)
C(/C=C/C(OOC(C)(C)C)CCCCC)=C\CCCCCCCC(=O)OC

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 433.70
Topological Polar Surface Area 44.76
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 7.27
Molar Refractivity 113.49

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Created at
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Updated at
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