Structure Database (LMSD)
Common Name
3-Methylbutyl hexanoate
Systematic Name
3-methylbutyl hexanoate
Synonyms
3D model of 3-Methylbutyl hexanoate
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)
XVSZRAWFCDHCBP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
SMILES (Click to copy)
O(CCC(C)C)C(=O)CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
213.80
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.44
Molar Refractivity
55.05
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Created at
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Updated at
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