Structure Database (LMSD)

Common Name
2-propyl-9Z-octadecenoic Acid
Systematic Name
2-propyl-9Z-octadecenoic Acid
Synonyms
LM ID
LMFA01020135
Status
Active
Exact Mass
Calculate m/z
324.30283
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)
QWGQAJUZRWMSJR-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H,22,23)/b12-11-
SMILES (Click to copy)
C(CCCCCC(CCC)C(=O)O)/C=C\CCCCCCCC

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA7103
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 384.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.13
Molar Refractivity 100.87

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Updated at
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