Structure Database (LMSD)

Common Name
R-Delta-decalactone
Systematic Name
Tetrahydro-6R-pentylpyran-2-one
Synonyms
  • (5R)-(+)-Decanolide
LM ID
LMFA07040188
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
FA 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Celastrina argiolus ladonides (#559136)
Insecta (#50557)
Two lactones in the androconial scent of the lycaenid butterfly Celastrina argiolus ladonides.,
Naturwissenschaften, 2013
Pubmed ID: 23509009

String Representations

InChiKey (Click to copy)
GHBSPIPJMLAMEP-SECBINFHSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
SMILES (Click to copy)
C1CC(=O)O[C@H](CCCCC)C1

Other Databases

PubChem CID
1714996

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 184.14
Topological Polar Surface Area 28.37
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 2.95
Molar Refractivity 48.39

Admin

Created at
3rd Jan 2023
Updated at
3rd Jan 2023