Structure Database (LMSD)

O O
Common Name
6-Octadecenyl 3-methylbutanoate
Systematic Name
6-Octadecenyl 3-methylbutanoate
Synonyms
  • WE(18:1(6)/4:0(3Me))
LM ID
LMFA07010558
Formula
C23H46O2
Exact Mass
Calculate m/z
354.34978
Sum Composition
WE 23:0
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
PMHFPTSIKAVTHL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h22H,4-21H2,1-3H3
SMILES (Click to copy)
O=C(CC(C)C)OCCCCCCCCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56935996

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 421.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.12
Molar Refractivity 110.45

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Updated at
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