Structure Database (LMSD)

O O
Common Name
4-Methyl-3-heptyl palmitate
Systematic Name
4-Methyl-3-heptyl hexadecanoate
Synonyms
  • WE(5:0(1Et,2Me)/16:0)
LM ID
LMFA07010658
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
ZQMFEFNLIVRCJO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-23(7-3)22(4)20-6-2/h22-23H,5-21H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OC(CC)C(C)CCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180071
PubChem CID
56936031

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.51
Molar Refractivity 115.07

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Created at
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Updated at
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