Structure Database (LMSD)
Common Name
3-Methylbutyl butyrate
Systematic Name
3-Methylbutyl butyrate
Synonyms
- WE(4:0(3Me)/4:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-Methylbutyl butyrate
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)
PQLMXFQTAMDXIZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
SMILES (Click to copy)
O=C(CCC)OCCC(C)C
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
179.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.66
Molar Refractivity
45.81
Admin
Created at
-
Updated at
6th Jun 2022