Structure Database (LMSD)
Common Name
Hexyl 2-methyl-4-pentenoate
Systematic Name
hexyl 2-methylpent-4-enoate
Synonyms
3D model of Hexyl 2-methyl-4-pentenoate
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)
GEDRGVNPMIOGRX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3
SMILES (Click to copy)
C=CCC(C(=O)OCCCCCC)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.61
Molar Refractivity
59.57
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Created at
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Updated at
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