Structure Database (LMSD)
Common Name
Nonyl isovalerate
Systematic Name
nonyl 3-methylbutanoate
Synonyms
3D model of Nonyl isovalerate
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)
JHKZVDVMXZGMOX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
SMILES (Click to copy)
CC(CC(OCCCCCCCCC)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
265.70
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.61
Molar Refractivity
68.90
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Created at
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Updated at
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