Structure Database (LMSD)

Common Name
ethyl octanoate
Systematic Name
ethyl octanoate
Synonyms
  • WE(2:0/8:0)
LM ID
LMFA07010447
Formula
C10H20O2
Exact Mass
Calculate m/z
172.14633
Sum Composition
SFE 10:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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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)
YYZUSRORWSJGET-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCC)OCC

Other Databases

KEGG ID
C12292
HMDB ID
HMDB0040195
CHEBI ID
87426
PubChem CID
7799

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 196.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.19
Molar Refractivity 50.50

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Created at
-
Updated at
6th Jun 2022