Structure Database (LMSD)
Common Name
2-methylbutyl octanoate
Systematic Name
2-methylbutyl octanoate
Synonyms
3D model of 2-methylbutyl octanoate
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
Biological Context
String Representations
InChiKey (Click to copy)
XZLBJDGPIWDVIJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3
SMILES (Click to copy)
CCCCCCCC(OCC(C)CC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
248.40
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.22
Molar Refractivity
64.28
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Created at
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Updated at
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