Structure Database (LMSD)
Common Name
6,10,13-Trimethyltetradecyl 3-methylbutanoate
Systematic Name
6,10,13-Trimethyltetradecyl 3-methylbutanoate
Synonyms
- WE(14:0(6Me,10Me,13Me)/4:0(3Me))
3D model of 6,10,13-Trimethyltetradecyl 3-methylbutanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
APHRWGIGLRUJLA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-18(2)14-15-21(6)13-10-12-20(5)11-8-7-9-16-24-22(23)17-19(3)4/h18-21H,7-17H2,1-6H3
SMILES (Click to copy)
O=C(CC(C)C)OCCCCCC(C)CCCC(C)CCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
404.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.30
Molar Refractivity
105.62
Admin
Created at
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Updated at
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