Structure Database (LMSD)

Common Name
6-hydroxy-4-dodecanolide
Systematic Name
6-hydroxy-4-dodecanolide
Synonyms
LM ID
LMFA07040043
Status
Active
Exact Mass
Calculate m/z
214.156895
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)
YMOFCPXBTKJSSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c1-2-3-4-5-6-10(13)9-11-7-8-12(14)15-11/h10-11,13H,2-9H2,1H3
SMILES (Click to copy)
C1(OC(CC(O)CCCCCC)CC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Idea leuconoe (#76237)
Insecta (#50557)
Male sex pheromone of a giant danaine butterfly,Idea leuconoe.,
J Chem Ecol, 1996
Pubmed ID: 24227617

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 227.53
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.99
Molar Refractivity 59.52

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Created at
-
Updated at
4th Apr 2022