sodium;2-tert-butylperoxy-2-methylpropane;hydride

C8H19NaO2 — CID 175059637

IUPACsodium;2-tert-butylperoxy-2-methylpropane;hydride
SMILESCC(C)(C)OOC(C)(C)C.[H-].[Na+]
InChIInChI=1S/C8H18O2.Na.H/c1-7(2,3)9-10-8(4,5)6;;/h1-6H3;;/q;+1;-1
InChIKeyIQLBLQRAWRCFMO-UHFFFAOYSA-N
MW170.23 g/mol
LogP-0.35
Rot. Bonds1

About sodium;2-tert-butylperoxy-2-methylpropane;hydride

sodium;2-tert-butylperoxy-2-methylpropane;hydride (PubChem CID 175059637) has the molecular formula C8H19NaO2 and a molecular weight of 170.23 g/mol. Its IUPAC name is sodium;2-tert-butylperoxy-2-methylpropane;hydride.

Molecular Properties

Compound Namesodium;2-tert-butylperoxy-2-methylpropane;hydride
PubChem CID175059637
Molecular FormulaC8H19NaO2
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Namesodium;2-tert-butylperoxy-2-methylpropane;hydride
SMILESCC(C)(C)OOC(C)(C)C.[H-].[Na+]
InChIInChI=1S/C8H18O2.Na.H/c1-7(2,3)9-10-8(4,5)6;;/h1-6H3;;/q;+1;-1
InChIKeyIQLBLQRAWRCFMO-UHFFFAOYSA-N
XLogP-0.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
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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Related Compounds

2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
CID 160538255
(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
CID 11659272
3,3-bis(tert-butylperoxy)pentane
CID 20542110
tert-butylperoxysilane
CID 123650239
2,7-bis(tert-butylperoxy)-2,3,3,6,6,7-hexamethyloctane
CID 139905465
2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
CID 19866769
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide
CID 157235691
2-tert-butylperoxy-2-methylpropan-1-ol
CID 14069529
3-tert-butyl-2-tert-butylperoxy-2,4,4-trimethylpentane
CID 169087826
3-tert-butylperoxy-3-methylbut-1-ene
CID 11829716
[2,2,2-Tris(tert-butylperoxy)ethyl]germane
CID 78065470

Frequently Asked Questions

What is the IUPAC name of sodium;2-tert-butylperoxy-2-methylpropane;hydride?
The IUPAC name of sodium;2-tert-butylperoxy-2-methylpropane;hydride (CID 175059637) is sodium;2-tert-butylperoxy-2-methylpropane;hydride.
What is the SMILES notation for sodium;2-tert-butylperoxy-2-methylpropane;hydride?
The canonical SMILES for sodium;2-tert-butylperoxy-2-methylpropane;hydride is CC(C)(C)OOC(C)(C)C.[H-].[Na+].
What is the InChIKey of sodium;2-tert-butylperoxy-2-methylpropane;hydride?
The InChIKey is IQLBLQRAWRCFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.Na.H/c1-7(2,3)9-10-8(4,5)6;;/h1-6H3;;/q;+1;-1.
What are the key properties of sodium;2-tert-butylperoxy-2-methylpropane;hydride?
sodium;2-tert-butylperoxy-2-methylpropane;hydride has a molecular weight of 170.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-tert-butylperoxy-2-methylpropane;hydride is sourced from PubChem (CID 175059637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).