Structure Database (LMSD)

Common Name
6-Hydroxy-4-decanolide
Systematic Name
6-Hydroxy-4-decanolide
Synonyms
LM ID
LMFA07040027
Formula
C10H18O3
Exact Mass
Calculate m/z
186.125595
Sum Composition
FA 10:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
QSECWZFAQXSMTI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-2-3-4-8(11)7-9-5-6-10(12)13-9/h8-9,11H,2-7H2,1H3
SMILES (Click to copy)
C1C(=O)OC(CC(O)CCCC)C1

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180133
PubChem CID
56936042

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 192.93
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.21
Molar Refractivity 50.29

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Created at
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Updated at
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