Structure Database (LMSD)

Common Name
(2-Hydroxymethyl-cyclohexyl)-acetic acid lactone
Systematic Name
Octahydrobenzopyran-3-one
Synonyms
  • CIC-4
LM ID
LMFA07040018
Status
Active
Exact Mass
Calculate m/z
154.09938
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)
AYMWCZFEDLLHMI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2
SMILES (Click to copy)
C1(OCC2CCCCC2C1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Laboratory and field trials of four repellents with Culex pipiens (Diptera: Culicidae).,
J Med Entomol, 1994
Pubmed ID: 8158621

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 154.48
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.02
Molar Refractivity 41.51

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Created at
-
Updated at
28th Jun 2021