Structure Database (LMSD)

Common Name
(R)-gamma-Decalactone
Systematic Name
4R-Decanolide
Synonyms
LM ID
LMFA07040025
Status
Active
Exact Mass
Calculate m/z
170.13068
Formula
C10H18O2
Abbrev
FA 10:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
IFYYFLINQYPWGJ-SECBINFHSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
SMILES (Click to copy)
C1C(=O)O[C@H](CCCCCC)C1

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180244
PubChem CID
183870

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 184.14
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.95
Molar Refractivity 48.38

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Updated at
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