Structure Database (LMSD)

O O
Common Name
10,14-Dimethylpentadecyl isobutyrate
Systematic Name
10,14-Dimethylpentadecyl isobutyrate
Synonyms
  • WE(15:0(10Me,14Me)/3:0(2Me))
LM ID
LMFA07010649
Formula
C21H42O2
Exact Mass
Calculate m/z
326.31848
Sum Composition
WE 21:0
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)
WEUUVFYXSHQOIT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-18(2)14-13-16-20(5)15-11-9-7-6-8-10-12-17-23-21(22)19(3)4/h18-20H,6-17H2,1-5H3
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCC(C)CCCC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56936025

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.05
Molar Refractivity 101.08

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Created at
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Updated at
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