sodium 2-methylpentan-2-olate

C6H13NaO — CID 23694755

IUPACsodium 2-methylpentan-2-olate
SMILESCCCC(C)(C)[O-].[Na+]
InChIInChI=1S/C6H13O.Na/c1-4-5-6(2,3)7;/h4-5H2,1-3H3;/q-1;+1
InChIKeyNOBCJNBWINPTEJ-UHFFFAOYSA-N
MW124.16 g/mol
LogP-2.07
Rot. Bonds2

About sodium 2-methylpentan-2-olate

sodium 2-methylpentan-2-olate (PubChem CID 23694755) has the molecular formula C6H13NaO and a molecular weight of 124.16 g/mol. Its IUPAC name is sodium 2-methylpentan-2-olate.

Molecular Properties

Compound Namesodium 2-methylpentan-2-olate
PubChem CID23694755
Molecular FormulaC6H13NaO
Molecular Weight124.16 g/mol
Exact Mass124.09
IUPAC Namesodium 2-methylpentan-2-olate
SMILESCCCC(C)(C)[O-].[Na+]
InChIInChI=1S/C6H13O.Na/c1-4-5-6(2,3)7;/h4-5H2,1-3H3;/q-1;+1
InChIKeyNOBCJNBWINPTEJ-UHFFFAOYSA-N
XLogP-2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrakis(2-methylpentan-2-olate);titanium(4+)
CID 22496813
lithium 2-methylhexan-2-olate
CID 23702344
bis(2,2-dimethylpentane);methane
CID 159859974
2,4-dimethylheptan-4-olate
CID 58624964
3,3-dimethylhexane
CID 11233
CID 101008751
CID 101008751
2,2-dimethylpentane;ethane;propane
CID 156751345
sodium;hydride;3-methylhexan-3-ol
CID 175384887
3-tert-butyl-2,2-dimethylhexane
CID 53428784
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
2-methylpentan-2-ylphosphane;hydrochloride
CID 139434138
2,2-dimethylpentane;2,2-dimethylpropane;ethane;methane
CID 162070166

Frequently Asked Questions

What is the IUPAC name of sodium 2-methylpentan-2-olate?
The IUPAC name of sodium 2-methylpentan-2-olate (CID 23694755) is sodium 2-methylpentan-2-olate.
What is the SMILES notation for sodium 2-methylpentan-2-olate?
The canonical SMILES for sodium 2-methylpentan-2-olate is CCCC(C)(C)[O-].[Na+].
What is the InChIKey of sodium 2-methylpentan-2-olate?
The InChIKey is NOBCJNBWINPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Na/c1-4-5-6(2,3)7;/h4-5H2,1-3H3;/q-1;+1.
What are the key properties of sodium 2-methylpentan-2-olate?
sodium 2-methylpentan-2-olate has a molecular weight of 124.16 g/mol, XLogP of -2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylpentan-2-olate is sourced from PubChem (CID 23694755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).