Structure Database (LMSD)

O O
Common Name
octadecyl hexanoate
Systematic Name
octadecyl hexanoate
Synonyms
  • WE(18:0/6:0)
LM ID
LMFA07010445
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
WE 24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

String Representations

InChiKey (Click to copy)
GQKMJPMHAWIENG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26-24(25)22-20-6-4-2/h3-23H2,1-2H3
SMILES (Click to copy)
O=C(CCCCC)OCCCCCCCCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180076
PubChem CID
575856

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.66
Molar Refractivity 115.14

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Created at
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Updated at
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