2-(iodomethyl)-2-methylbutanoic acid

C6H11IO2 — CID 155784783

IUPAC2-(iodomethyl)-2-methylbutanoic acid
SMILESCCC(C)(CI)C(=O)O
InChIInChI=1S/C6H11IO2/c1-3-6(2,4-7)5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyYIGAJMHAYJHNCZ-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.92
Rot. Bonds3

About 2-(iodomethyl)-2-methylbutanoic acid

2-(iodomethyl)-2-methylbutanoic acid (PubChem CID 155784783) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-(iodomethyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(iodomethyl)-2-methylbutanoic acid
PubChem CID155784783
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name2-(iodomethyl)-2-methylbutanoic acid
SMILESCCC(C)(CI)C(=O)O
InChIInChI=1S/C6H11IO2/c1-3-6(2,4-7)5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyYIGAJMHAYJHNCZ-UHFFFAOYSA-N
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid
CID 146213852
2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid
CID 106439379
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tetratetracontamethylheptaoctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontacarboxylic acid
CID 140793312
1,1,3,5-tetramethylheptane-1,3,5-tricarboxylic acid
CID 88566200
1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylic acid
CID 58114727
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-triacontamethylnonapentacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosacarboxylic acid
CID 177116159
4-bromo-2-ethyl-2,4-dimethylhexanoic acid
CID 130468141
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecamethyltritriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecacarboxylic acid
CID 159235400

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-2-methylbutanoic acid?
The IUPAC name of 2-(iodomethyl)-2-methylbutanoic acid (CID 155784783) is 2-(iodomethyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(iodomethyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(iodomethyl)-2-methylbutanoic acid is CCC(C)(CI)C(=O)O.
What is the InChIKey of 2-(iodomethyl)-2-methylbutanoic acid?
The InChIKey is YIGAJMHAYJHNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-3-6(2,4-7)5(8)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(iodomethyl)-2-methylbutanoic acid?
2-(iodomethyl)-2-methylbutanoic acid has a molecular weight of 242.06 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-2-methylbutanoic acid is sourced from PubChem (CID 155784783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).