2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane

C24H50O2 — CID 175001131

IUPAC2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane
SMILESCC(C)(C)CCC(CC(C)(C)C)OOC(CCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C24H50O2/c1-21(2,3)15-13-19(17-23(7,8)9)25-26-20(18-24(10,11)12)14-16-22(4,5)6/h19-20H,13-18H2,1-12H3
InChIKeyFFUCNMFCHWGFQC-UHFFFAOYSA-N
MW370.66 g/mol
LogP8.20
Rot. Bonds9

About 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane

2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane (PubChem CID 175001131) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane
PubChem CID175001131
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane
SMILESCC(C)(C)CCC(CC(C)(C)C)OOC(CCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C24H50O2/c1-21(2,3)15-13-19(17-23(7,8)9)25-26-20(18-24(10,11)12)14-16-22(4,5)6/h19-20H,13-18H2,1-12H3
InChIKeyFFUCNMFCHWGFQC-UHFFFAOYSA-N
XLogP8.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 58.20
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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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane?
The IUPAC name of 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane (CID 175001131) is 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane.
What is the SMILES notation for 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane?
The canonical SMILES for 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane is CC(C)(C)CCC(CC(C)(C)C)OOC(CCC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane?
The InChIKey is FFUCNMFCHWGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-21(2,3)15-13-19(17-23(7,8)9)25-26-20(18-24(10,11)12)14-16-22(4,5)6/h19-20H,13-18H2,1-12H3.
What are the key properties of 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane?
2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane has a molecular weight of 370.66 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-4-(2,2,7,7-tetramethyloctan-4-ylperoxy)octane is sourced from PubChem (CID 175001131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).