Structure Database (LMSD)
Common Name
4,4-dimethyl-2E-pentenoic acid
Systematic Name
4,4-dimethyl-2E-pentenoic acid
Synonyms
3D model of 4,4-dimethyl-2E-pentenoic 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)
RPVPMVHPERYZNF-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+
SMILES (Click to copy)
CC(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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