sodium 2-methylbutan-1-olate

C5H11NaO — CID 23683800

IUPACsodium 2-methylbutan-1-olate
SMILESCCC(C)C[O-].[Na+]
InChIInChI=1S/C5H11O.Na/c1-3-5(2)4-6;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyJAMJJMAOGOCNNF-UHFFFAOYSA-N
MW110.13 g/mol
LogP-2.60
Rot. Bonds2

About sodium 2-methylbutan-1-olate

sodium 2-methylbutan-1-olate (PubChem CID 23683800) has the molecular formula C5H11NaO and a molecular weight of 110.13 g/mol. Its IUPAC name is sodium 2-methylbutan-1-olate.

Molecular Properties

Compound Namesodium 2-methylbutan-1-olate
PubChem CID23683800
Molecular FormulaC5H11NaO
Molecular Weight110.13 g/mol
Exact Mass110.07
IUPAC Namesodium 2-methylbutan-1-olate
SMILESCCC(C)C[O-].[Na+]
InChIInChI=1S/C5H11O.Na/c1-3-5(2)4-6;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyJAMJJMAOGOCNNF-UHFFFAOYSA-N
XLogP-2.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
ethane;3-methylpentane
CID 91147782
lithium 2-methylpentan-1-olate
CID 87387163
methane;3-methylpentane;tritioethyne
CID 159244363
methanolate;2-methylbutylaluminum(2+)
CID 19766055
methyl(2-methylbutyl)silane
CID 123564774
3,5-dimethylheptane;ethane
CID 172617343
sodium 2-methyl-3-sulfopropan-1-olate
CID 141285329

Frequently Asked Questions

What is the IUPAC name of sodium 2-methylbutan-1-olate?
The IUPAC name of sodium 2-methylbutan-1-olate (CID 23683800) is sodium 2-methylbutan-1-olate.
What is the SMILES notation for sodium 2-methylbutan-1-olate?
The canonical SMILES for sodium 2-methylbutan-1-olate is CCC(C)C[O-].[Na+].
What is the InChIKey of sodium 2-methylbutan-1-olate?
The InChIKey is JAMJJMAOGOCNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Na/c1-3-5(2)4-6;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of sodium 2-methylbutan-1-olate?
sodium 2-methylbutan-1-olate has a molecular weight of 110.13 g/mol, XLogP of -2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylbutan-1-olate is sourced from PubChem (CID 23683800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).