Structure Database (LMSD)
Common Name
(3E)-2-Propylpent-3-enoic acid
Systematic Name
(3E)-2-propylpent-3-enoic acid
Synonyms
3D model of (3E)-2-Propylpent-3-enoic 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)
WTMAHJABDOHPDJ-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3+
SMILES (Click to copy)
C/C=C/C(C(=O)O)CCC
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
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.06
Molar Refractivity
40.85
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Created at
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Updated at
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