sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane

C10H22NaO+ — CID 24898418

IUPACsodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
SMILESCCC(C)(C)OC(C)(C)CC.[Na+]
InChIInChI=1S/C10H22O.Na/c1-7-9(3,4)11-10(5,6)8-2;/h7-8H2,1-6H3;/q;+1
InChIKeyVJEKXPSXUXGSKI-UHFFFAOYSA-N
MW181.27 g/mol
LogP0.38
Rot. Bonds4

About sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane

sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane (PubChem CID 24898418) has the molecular formula C10H22NaO+ and a molecular weight of 181.27 g/mol. Its IUPAC name is sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane.

Molecular Properties

Compound Namesodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
PubChem CID24898418
Molecular FormulaC10H22NaO+
Molecular Weight181.27 g/mol
Exact Mass181.16
IUPAC Namesodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
SMILESCCC(C)(C)OC(C)(C)CC.[Na+]
InChIInChI=1S/C10H22O.Na/c1-7-9(3,4)11-10(5,6)8-2;/h7-8H2,1-6H3;/q;+1
InChIKeyVJEKXPSXUXGSKI-UHFFFAOYSA-N
XLogP0.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.27
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
methanol;2-methyl-2-(2-methylbutan-2-yloxy)butane;propan-2-ol
CID 137497560
N-ethyl-2-methyl-2-(2-methylbutan-2-yloxy)propan-1-amine
CID 62353804
2,4-dimethyl-2-(2-methylbutan-2-yloxy)hexane
CID 177210579
1-amino-1-(2-methylbutan-2-yloxy)ethanol
CID 87134275
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
2-methyl-2-sulfanyloxybutane
CID 141118976
CID 134978808
CID 134978808
hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
tris(2-methylbutan-2-yloxy)alumane
CID 18974578
2-(2-methylbutan-2-yloxy)heptan-2-ol
CID 130236683
CID 175267598
CID 175267598

Frequently Asked Questions

What is the IUPAC name of sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane?
The IUPAC name of sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane (CID 24898418) is sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane.
What is the SMILES notation for sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane?
The canonical SMILES for sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane is CCC(C)(C)OC(C)(C)CC.[Na+].
What is the InChIKey of sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane?
The InChIKey is VJEKXPSXUXGSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.Na/c1-7-9(3,4)11-10(5,6)8-2;/h7-8H2,1-6H3;/q;+1.
What are the key properties of sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane?
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane has a molecular weight of 181.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane is sourced from PubChem (CID 24898418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).