sodium;hydride;2-hydroperoxy-2-methylbutane

C5H13NaO2 — CID 175579970

IUPACsodium;hydride;2-hydroperoxy-2-methylbutane
SMILESCCC(C)(C)OO.[H-].[Na+]
InChIInChI=1S/C5H12O2.Na.H/c1-4-5(2,3)7-6;;/h6H,4H2,1-3H3;;/q;+1;-1
InChIKeyZACMTWTXSBASGV-UHFFFAOYSA-N
MW128.15 g/mol
LogP-1.22
Rot. Bonds2

About sodium;hydride;2-hydroperoxy-2-methylbutane

sodium;hydride;2-hydroperoxy-2-methylbutane (PubChem CID 175579970) has the molecular formula C5H13NaO2 and a molecular weight of 128.15 g/mol. Its IUPAC name is sodium;hydride;2-hydroperoxy-2-methylbutane.

Molecular Properties

Compound Namesodium;hydride;2-hydroperoxy-2-methylbutane
PubChem CID175579970
Molecular FormulaC5H13NaO2
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Namesodium;hydride;2-hydroperoxy-2-methylbutane
SMILESCCC(C)(C)OO.[H-].[Na+]
InChIInChI=1S/C5H12O2.Na.H/c1-4-5(2,3)7-6;;/h6H,4H2,1-3H3;;/q;+1;-1
InChIKeyZACMTWTXSBASGV-UHFFFAOYSA-N
XLogP-1.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroperoxy-2-methylbutane?
The IUPAC name of sodium;hydride;2-hydroperoxy-2-methylbutane (CID 175579970) is sodium;hydride;2-hydroperoxy-2-methylbutane.
What is the SMILES notation for sodium;hydride;2-hydroperoxy-2-methylbutane?
The canonical SMILES for sodium;hydride;2-hydroperoxy-2-methylbutane is CCC(C)(C)OO.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroperoxy-2-methylbutane?
The InChIKey is ZACMTWTXSBASGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.Na.H/c1-4-5(2,3)7-6;;/h6H,4H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroperoxy-2-methylbutane?
sodium;hydride;2-hydroperoxy-2-methylbutane has a molecular weight of 128.15 g/mol, XLogP of -1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroperoxy-2-methylbutane is sourced from PubChem (CID 175579970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).