Structure Database (LMSD)
Common Name
10,14-Dimethylpentadecyl isobutyrate
Systematic Name
10,14-Dimethylpentadecyl isobutyrate
Synonyms
- WE(15:0(10Me,14Me)/3:0(2Me))
3D model of 10,14-Dimethylpentadecyl isobutyrate
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)
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
Other Databases
PubChem CID
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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