[2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate

C32H60N2O8 — CID 88522677

IUPAC[2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate
SMILESCN1C(C)(C)CC(OCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)COC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H60N2O8/c1-27(2)17-23(18-28(3,4)33(27)13)37-21-25(35)39-41-31(9,10)15-16-32(11,12)42-40-26(36)22-38-24-19-29(5,6)34(14)30(7,8)20-24/h23-24H,15-22H2,1-14H3
InChIKeyWJOIXQNARNDINX-UHFFFAOYSA-N
MW600.84 g/mol
LogP5.61
Rot. Bonds13

About [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate

[2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate (PubChem CID 88522677) has the molecular formula C32H60N2O8 and a molecular weight of 600.84 g/mol. Its IUPAC name is [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate.

Molecular Properties

Compound Name[2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate
PubChem CID88522677
Molecular FormulaC32H60N2O8
Molecular Weight600.84 g/mol
Exact Mass600.43
IUPAC Name[2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate
SMILESCN1C(C)(C)CC(OCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)COC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H60N2O8/c1-27(2)17-23(18-28(3,4)33(27)13)37-21-25(35)39-41-31(9,10)15-16-32(11,12)42-40-26(36)22-38-24-19-29(5,6)34(14)30(7,8)20-24/h23-24H,15-22H2,1-14H3
InChIKeyWJOIXQNARNDINX-UHFFFAOYSA-N
XLogP5.61
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.84
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate?
The IUPAC name of [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate (CID 88522677) is [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate.
What is the SMILES notation for [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate?
The canonical SMILES for [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate is CN1C(C)(C)CC(OCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)COC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate?
The InChIKey is WJOIXQNARNDINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O8/c1-27(2)17-23(18-28(3,4)33(27)13)37-21-25(35)39-41-31(9,10)15-16-32(11,12)42-40-26(36)22-38-24-19-29(5,6)34(14)30(7,8)20-24/h23-24H,15-22H2,1-14H3.
What are the key properties of [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate?
[2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate has a molecular weight of 600.84 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-5-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetyl]peroxyhexan-2-yl] 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethaneperoxoate is sourced from PubChem (CID 88522677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).