Structure Database (LMSD)
Common Name
Isopropyl nonanoate
Systematic Name
propan-2-yl nonanoate
Synonyms
3D model of Isopropyl nonanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3
SMILES (Click to copy)
O=C(OC(C)C)CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
231.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.97
Molar Refractivity
59.73
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Created at
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Updated at
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