Structure Database (LMSD)

Common Name
gamma-tetradecalactone
Systematic Name
4-tetradecanolide
Synonyms
  • 5-Decyl-dihydrofuran-2(3H)-one
LM ID
LMFA07040051
Formula
Exact Mass
Calculate m/z
226.19328
Sum Composition
Status
Active

Classification

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
AGNLJNRENXLLQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h13H,2-12H2,1H3
SMILES (Click to copy)
C1(OC(CCCCCCCCCC)CC1)=O

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 253.34
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.51
Molar Refractivity 66.85

Admin

Created at
-
Updated at
-