Structure Database (LMSD)
Common Name
Isopentyl 3-methyl-2-butenoate
Systematic Name
3-methylbutyl 3-methylbut-2-enoate
Synonyms
3D model of Isopentyl 3-methyl-2-butenoate
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)
DBGLRAHCYJTYEH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3
SMILES (Click to copy)
C/C(=C/C(OCCC(C)C)=O)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.83
Molar Refractivity
50.34
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Created at
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Updated at
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