tert-butyl(2-hydroperoxypropan-2-yl)diazene

C7H16N2O2 — CID 13429215

IUPACtert-butyl(2-hydroperoxypropan-2-yl)diazene
SMILESCC(C)(C)/N=N/C(C)(C)OO
InChIInChI=1S/C7H16N2O2/c1-6(2,3)8-9-7(4,5)11-10/h10H,1-5H3/b9-8+
InChIKeyFLFNXPPJQWQORO-CMDGGOBGSA-N
MW160.22 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl(2-hydroperoxypropan-2-yl)diazene

tert-butyl(2-hydroperoxypropan-2-yl)diazene (PubChem CID 13429215) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is tert-butyl(2-hydroperoxypropan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl(2-hydroperoxypropan-2-yl)diazene
PubChem CID13429215
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nametert-butyl(2-hydroperoxypropan-2-yl)diazene
SMILESCC(C)(C)/N=N/C(C)(C)OO
InChIInChI=1S/C7H16N2O2/c1-6(2,3)8-9-7(4,5)11-10/h10H,1-5H3/b9-8+
InChIKeyFLFNXPPJQWQORO-CMDGGOBGSA-N
XLogP2.46
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.46
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-hydroperoxypropan-2-yl)diazene?
The IUPAC name of tert-butyl(2-hydroperoxypropan-2-yl)diazene (CID 13429215) is tert-butyl(2-hydroperoxypropan-2-yl)diazene.
What is the SMILES notation for tert-butyl(2-hydroperoxypropan-2-yl)diazene?
The canonical SMILES for tert-butyl(2-hydroperoxypropan-2-yl)diazene is CC(C)(C)/N=N/C(C)(C)OO.
What is the InChIKey of tert-butyl(2-hydroperoxypropan-2-yl)diazene?
The InChIKey is FLFNXPPJQWQORO-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2,3)8-9-7(4,5)11-10/h10H,1-5H3/b9-8+.
What are the key properties of tert-butyl(2-hydroperoxypropan-2-yl)diazene?
tert-butyl(2-hydroperoxypropan-2-yl)diazene has a molecular weight of 160.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-hydroperoxypropan-2-yl)diazene is sourced from PubChem (CID 13429215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).