2,2-dimethylpropanoic acid;rhenium;chloride

C5H10ClO2Re- — CID 25015528

IUPAC2,2-dimethylpropanoic acid;rhenium;chloride
SMILESCC(C)(C)C(=O)O.[Cl-].[Re]
InChIInChI=1S/C5H10O2.ClH.Re/c1-5(2,3)4(6)7;;/h1-3H3,(H,6,7);1H;/p-1
InChIKeyUGNQUBCBECLRRM-UHFFFAOYSA-M
MW323.79 g/mol
LogP-1.88
Rot. Bonds

About 2,2-dimethylpropanoic acid;rhenium;chloride

2,2-dimethylpropanoic acid;rhenium;chloride (PubChem CID 25015528) has the molecular formula C5H10ClO2Re- and a molecular weight of 323.79 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid;rhenium;chloride.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid;rhenium;chloride
PubChem CID25015528
Molecular FormulaC5H10ClO2Re-
Molecular Weight323.79 g/mol
Exact Mass323.99
IUPAC Name2,2-dimethylpropanoic acid;rhenium;chloride
SMILESCC(C)(C)C(=O)O.[Cl-].[Re]
InChIInChI=1S/C5H10O2.ClH.Re/c1-5(2,3)4(6)7;;/h1-3H3,(H,6,7);1H;/p-1
InChIKeyUGNQUBCBECLRRM-UHFFFAOYSA-M
XLogP-1.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 5-1.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropanoic acid
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CID 171378141
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid;methane
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2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
CID 175317557
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-bromo-2-methylpropanoic acid
CID 159388254
2,2-dimethylpropanedioic acid;hydrochloride
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2,2-dimethylpropanedioic acid;silver
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid;rhenium;chloride?
The IUPAC name of 2,2-dimethylpropanoic acid;rhenium;chloride (CID 25015528) is 2,2-dimethylpropanoic acid;rhenium;chloride.
What is the SMILES notation for 2,2-dimethylpropanoic acid;rhenium;chloride?
The canonical SMILES for 2,2-dimethylpropanoic acid;rhenium;chloride is CC(C)(C)C(=O)O.[Cl-].[Re].
What is the InChIKey of 2,2-dimethylpropanoic acid;rhenium;chloride?
The InChIKey is UGNQUBCBECLRRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O2.ClH.Re/c1-5(2,3)4(6)7;;/h1-3H3,(H,6,7);1H;/p-1.
What are the key properties of 2,2-dimethylpropanoic acid;rhenium;chloride?
2,2-dimethylpropanoic acid;rhenium;chloride has a molecular weight of 323.79 g/mol, XLogP of -1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid;rhenium;chloride is sourced from PubChem (CID 25015528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).