Structure Database (LMSD)

Common Name
delta-dodecalactone
Systematic Name
5-dodecanolide
Synonyms
  • 6-Heptyl-tetrahydropyran-2-one
LM ID
LMFA07040040
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
C12H22O2
Abbrev
FA 12:1
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MDLMOL SDF CSV TSV
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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)
QRPLZGZHJABGRS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
SMILES (Click to copy)
C1(OC(CCCCCCC)CCC1)=O

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0037742
CHEBI ID
171817
PubChem CID
12844

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 218.74
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.73
Molar Refractivity 57.62

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Updated at
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