lithium;2-bromoacetic acid;2-methylpropane

C6H12BrLiO2 — CID 158159947

IUPAClithium;2-bromoacetic acid;2-methylpropane
SMILESC[C-](C)C.O=C(O)CBr.[Li+]
InChIInChI=1S/C4H9.C2H3BrO2.Li/c1-4(2)3;3-1-2(4)5;/h1-3H3;1H2,(H,4,5);/q-1;;+1
InChIKeyQJNMGXFRVAAVJG-UHFFFAOYSA-N
MW203.00 g/mol
LogP-0.91
Rot. Bonds1

About lithium;2-bromoacetic acid;2-methylpropane

lithium;2-bromoacetic acid;2-methylpropane (PubChem CID 158159947) has the molecular formula C6H12BrLiO2 and a molecular weight of 203.00 g/mol. Its IUPAC name is lithium;2-bromoacetic acid;2-methylpropane.

Molecular Properties

Compound Namelithium;2-bromoacetic acid;2-methylpropane
PubChem CID158159947
Molecular FormulaC6H12BrLiO2
Molecular Weight203.00 g/mol
Exact Mass202.02
IUPAC Namelithium;2-bromoacetic acid;2-methylpropane
SMILESC[C-](C)C.O=C(O)CBr.[Li+]
InChIInChI=1S/C4H9.C2H3BrO2.Li/c1-4(2)3;3-1-2(4)5;/h1-3H3;1H2,(H,4,5);/q-1;;+1
InChIKeyQJNMGXFRVAAVJG-UHFFFAOYSA-N
XLogP-0.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.00
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromoacetic acid;copper
CID 174520867
2-bromoacetic acid;phosphane
CID 158895914
sodium;2-bromoacetic acid;hydride
CID 174313027
potassium;2-bromoacetic acid;hydride
CID 174303508
2-bromoacetic acid;diiminoazanium
CID 174970597
2-bromoacetic acid;2-iodoacetic acid
CID 87504398
2-bromoacetic acid;hexane-1,6-diol
CID 175210517
2-bromoacetic acid;2-bromobutanoic acid
CID 161356058
iron;2-methylpropane;3-oxobutanoic acid
CID 161333798
1-bromopropan-2-one;ethane
CID 171800976
2-bromoacetic acid;undecan-1-ol
CID 175205169
1-bromopropan-2-one;hydrofluoride
CID 159011031

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromoacetic acid;2-methylpropane?
The IUPAC name of lithium;2-bromoacetic acid;2-methylpropane (CID 158159947) is lithium;2-bromoacetic acid;2-methylpropane.
What is the SMILES notation for lithium;2-bromoacetic acid;2-methylpropane?
The canonical SMILES for lithium;2-bromoacetic acid;2-methylpropane is C[C-](C)C.O=C(O)CBr.[Li+].
What is the InChIKey of lithium;2-bromoacetic acid;2-methylpropane?
The InChIKey is QJNMGXFRVAAVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C2H3BrO2.Li/c1-4(2)3;3-1-2(4)5;/h1-3H3;1H2,(H,4,5);/q-1;;+1.
What are the key properties of lithium;2-bromoacetic acid;2-methylpropane?
lithium;2-bromoacetic acid;2-methylpropane has a molecular weight of 203.00 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-bromoacetic acid;2-methylpropane is sourced from PubChem (CID 158159947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).