5,5-bis(tert-butylperoxy)nonane

C17H36O4 — CID 14869840

IUPAC5,5-bis(tert-butylperoxy)nonane
SMILESCCCCC(CCCC)(OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C17H36O4/c1-9-11-13-17(14-12-10-2,20-18-15(3,4)5)21-19-16(6,7)8/h9-14H2,1-8H3
InChIKeyYFCOOXIZJLVSFQ-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.56
Rot. Bonds10

About 5,5-bis(tert-butylperoxy)nonane

5,5-bis(tert-butylperoxy)nonane (PubChem CID 14869840) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 5,5-bis(tert-butylperoxy)nonane.

Molecular Properties

Compound Name5,5-bis(tert-butylperoxy)nonane
PubChem CID14869840
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name5,5-bis(tert-butylperoxy)nonane
SMILESCCCCC(CCCC)(OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C17H36O4/c1-9-11-13-17(14-12-10-2,20-18-15(3,4)5)21-19-16(6,7)8/h9-14H2,1-8H3
InChIKeyYFCOOXIZJLVSFQ-UHFFFAOYSA-N
XLogP5.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 5,5-bis(tert-butylperoxy)nonane?
The IUPAC name of 5,5-bis(tert-butylperoxy)nonane (CID 14869840) is 5,5-bis(tert-butylperoxy)nonane.
What is the SMILES notation for 5,5-bis(tert-butylperoxy)nonane?
The canonical SMILES for 5,5-bis(tert-butylperoxy)nonane is CCCCC(CCCC)(OOC(C)(C)C)OOC(C)(C)C.
What is the InChIKey of 5,5-bis(tert-butylperoxy)nonane?
The InChIKey is YFCOOXIZJLVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-9-11-13-17(14-12-10-2,20-18-15(3,4)5)21-19-16(6,7)8/h9-14H2,1-8H3.
What are the key properties of 5,5-bis(tert-butylperoxy)nonane?
5,5-bis(tert-butylperoxy)nonane has a molecular weight of 304.47 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(tert-butylperoxy)nonane is sourced from PubChem (CID 14869840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).