Structure Database (LMSD)
Common Name
2-isopropyl trans-crotonic acid
Systematic Name
2-isopropyl-2E-butenoic acid
Synonyms
3D model of 2-isopropyl trans-crotonic acid
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)
KPEWEFZCRAOPHV-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-4-6(5(2)3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
SMILES (Click to copy)
C/C=C(\C(C)C)/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.67
Molar Refractivity
36.23
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Created at
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Updated at
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