Structure Database (LMSD)

Common Name
10-Methyloxecan-2-one
Systematic Name
9-decanolide
Synonyms
LM ID
LMFA07040026
Status
Active
Exact Mass
Calculate m/z
170.13068
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SAMJSVOFANTIOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9-7-5-3-2-4-6-8-10(11)12-9/h9H,2-8H2,1H3
SMILES (Click to copy)
O1C(C)CCCCCCCC1=O

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
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 48.39

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Created at
-
Updated at
30th Apr 2020