Structure Database (LMSD)

Common Name
hexyl octadecanoate
Systematic Name
hexyl octadecanoate
Synonyms
  • WE(6:0/18:0)
LM ID
LMFA07010475
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
WE 24:0
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]
Wax monoesters [FA0701]

References

Comments
Pherobase Semiochemicals

String Representations

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

Other Databases

CHEBI ID
180073
PubChem CID
77005

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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