tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene

C10H22N2O2 — CID 23466440

IUPACtert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene
SMILESCC(C)CC(C)(/N=N/C(C)(C)C)OO
InChIInChI=1S/C10H22N2O2/c1-8(2)7-10(6,14-13)12-11-9(3,4)5/h8,13H,7H2,1-6H3/b12-11+
InChIKeyKHBDLERRGGRNJS-VAWYXSNFSA-N
MW202.30 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene

tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene (PubChem CID 23466440) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene
PubChem CID23466440
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene
SMILESCC(C)CC(C)(/N=N/C(C)(C)C)OO
InChIInChI=1S/C10H22N2O2/c1-8(2)7-10(6,14-13)12-11-9(3,4)5/h8,13H,7H2,1-6H3/b12-11+
InChIKeyKHBDLERRGGRNJS-VAWYXSNFSA-N
XLogP3.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene?
The IUPAC name of tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene (CID 23466440) is tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene.
What is the SMILES notation for tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene?
The canonical SMILES for tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene is CC(C)CC(C)(/N=N/C(C)(C)C)OO.
What is the InChIKey of tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene?
The InChIKey is KHBDLERRGGRNJS-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)7-10(6,14-13)12-11-9(3,4)5/h8,13H,7H2,1-6H3/b12-11+.
What are the key properties of tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene?
tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene has a molecular weight of 202.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene is sourced from PubChem (CID 23466440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).