Structure Database (LMSD)
Common Name
Isopentyl isopentanoate
Systematic Name
3-methylbutyl 3-methylbutanoate
Synonyms
3D model of Isopentyl isopentanoate
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
String Representations
InChiKey (Click to copy)
XINCECQTMHSORG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
SMILES (Click to copy)
CC(CC(OCCC(C)C)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
196.50
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.91
Molar Refractivity
50.36
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Created at
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Updated at
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