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
C10H18O2
Abbrev
FA 10:1
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
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
180243
PubChem CID
566646

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

Admin

Created at
-
Updated at
30th Apr 2020