Structure Database (LMSD)

Common Name
gamma-dodecalactone
Systematic Name
Dodecan-4-olide
Synonyms
  • 5-Octyl-dihydrofuran-2(3H)-one
LM ID
LMFA07040042
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)
WGPCZPLRVAWXPW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
SMILES (Click to copy)
C1(OC(CCCCCCCC)CC1)=O

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0031683
CHEBI ID
171837
PubChem CID
16821

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
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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