Structure Database (LMSD)
Common Name
2-Methylpropyl (2E)-butenoate
Systematic Name
2-methylpropyl (2Z)-but-2-enoate
Synonyms
3D model of 2-Methylpropyl (2E)-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)
XDOWKOALJBOBBL-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-
SMILES (Click to copy)
O=C(OCC(C)C)/C=C\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.05
Molar Refractivity
41.10
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Created at
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Updated at
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