Structure Database (LMSD)

Common Name
ethyl decanoate
Systematic Name
ethyl decanoate
Synonyms
  • WE(2:0/10:0)
LM ID
LMFA07010455
Formula
C12H24O2
Exact Mass
Calculate m/z
200.17763
Sum Composition
SFE 12:0
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
RGXWDWUGBIJHDO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OCC

Other Databases

HMDB ID
HMDB0030998
CHEBI ID
87430
PubChem CID
8048

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 231.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.97
Molar Refractivity 59.73

Admin

Created at
-
Updated at
6th Jun 2022