Structure Database (LMSD)

Common Name
8-heptadecynoic acid
Systematic Name
8-heptadecynoic acid
Synonyms
  • 8-Heptadecynoic acid
LM ID
LMFA01030484
Status
Active
Exact Mass
Calculate m/z
266.22458
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)
JXFYGWGDTRNNEQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-8,11-16H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCC#CCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4208
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 312.32
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.17
Molar Refractivity 81.11

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022