Structure Database (LMSD)

Common Name
2-Cyclopentene-1-pentadecenoic acid
Systematic Name
15-(2-cyclopenten-1-yl)-9-Pentadecenoic acid
Synonyms
  • 9-Pentadecenoic acid, 15-(2-cyclopenten-1-yl)-
  • 15-(2'-Cyclopenten-1'-yl-)-pentadecenoic acid
LM ID
LMFA01140040
Status
Active
Exact Mass
Calculate m/z
306.25588
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)
GFPRKNCSMMGSNS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC=CCCCCCC1C=CCC1)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 351.86
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.27
Molar Refractivity 94.04

Admin

Created at
-
Updated at
-