3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine

C20H28N2O2 — CID 167078384

IUPAC3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine
SMILESCc1ncc(OOCc2ncccc2C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-14-17(20(5,6)7)11-15(12-22-14)24-23-13-18-16(19(2,3)4)9-8-10-21-18/h8-12H,13H2,1-7H3
InChIKeyZQLMMRKPDWBQSN-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.89
Rot. Bonds4

About 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine

3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine (PubChem CID 167078384) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine.

Molecular Properties

Compound Name3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine
PubChem CID167078384
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine
SMILESCc1ncc(OOCc2ncccc2C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-14-17(20(5,6)7)11-15(12-22-14)24-23-13-18-16(19(2,3)4)9-8-10-21-18/h8-12H,13H2,1-7H3
InChIKeyZQLMMRKPDWBQSN-UHFFFAOYSA-N
XLogP4.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine?
The IUPAC name of 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine (CID 167078384) is 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine.
What is the SMILES notation for 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine?
The canonical SMILES for 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine is Cc1ncc(OOCc2ncccc2C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine?
The InChIKey is ZQLMMRKPDWBQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-17(20(5,6)7)11-15(12-22-14)24-23-13-18-16(19(2,3)4)9-8-10-21-18/h8-12H,13H2,1-7H3.
What are the key properties of 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine?
3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine has a molecular weight of 328.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(3-tert-butyl-2-pyridinyl)methylperoxy]-2-methylpyridine is sourced from PubChem (CID 167078384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).