Structure Database (LMSD)
Common Name
3-Methylbutyl 2-methylpropionate
Systematic Name
3-Methylbutyl 2-methylpropionate
Synonyms
- WE(4:0(3Me)/3:0(2Me))
3D model of 3-Methylbutyl 2-methylpropionate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VFTGLSWXJMRZNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
SMILES (Click to copy)
O=C(C(C)C)OCCC(C)C
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
179.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.52
Molar Refractivity
45.74
Admin
Created at
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Updated at
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