Structure Database (LMSD)
Common Name
Pentyl 3-methylbutanoate
Systematic Name
pentyl 3-methylbutanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Pentyl 3-methylbutanoate
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)
QURFFFCYNQXLCU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
SMILES (Click to copy)
CC(CC(OCCCCC)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
196.50
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.05
Molar Refractivity
50.43
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Created at
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Updated at
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