5,5-bis(ethylperoxy)nonane

C13H28O4 — CID 59925772

IUPAC5,5-bis(ethylperoxy)nonane
SMILESCCCCC(CCCC)(OOCC)OOCC
InChIInChI=1S/C13H28O4/c1-5-9-11-13(12-10-6-2,16-14-7-3)17-15-8-4/h5-12H2,1-4H3
InChIKeyVHTOYFMJDYOFMP-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.00
Rot. Bonds12

About 5,5-bis(ethylperoxy)nonane

5,5-bis(ethylperoxy)nonane (PubChem CID 59925772) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 5,5-bis(ethylperoxy)nonane.

Molecular Properties

Compound Name5,5-bis(ethylperoxy)nonane
PubChem CID59925772
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name5,5-bis(ethylperoxy)nonane
SMILESCCCCC(CCCC)(OOCC)OOCC
InChIInChI=1S/C13H28O4/c1-5-9-11-13(12-10-6-2,16-14-7-3)17-15-8-4/h5-12H2,1-4H3
InChIKeyVHTOYFMJDYOFMP-UHFFFAOYSA-N
XLogP4.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.00
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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Related Compounds

5,5-bis(methylperoxy)nonane
CID 11830978
4,4-bis(tert-butylperoxy)octane
CID 139956822
17-ethylperoxy-17-methyltritriacontane
CID 173208911
4,4-bis(2,3,3-trimethylbutan-2-ylperoxy)octane
CID 139956857
5,5-dibutoxynonane
CID 89440038
3,3-diethoxyoctane
CID 89440562
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
5,5-di(propan-2-yloxy)tetradecane
CID 150108162
4,4-bis(2,3-dimethylbutan-2-ylperoxy)nonane
CID 139956808
1-ethoxy-1,1-difluoropentane
CID 21052612
2,2-dimethylhexane
CID 169424592
hexane;molybdenum
CID 162092649

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(ethylperoxy)nonane?
The IUPAC name of 5,5-bis(ethylperoxy)nonane (CID 59925772) is 5,5-bis(ethylperoxy)nonane.
What is the SMILES notation for 5,5-bis(ethylperoxy)nonane?
The canonical SMILES for 5,5-bis(ethylperoxy)nonane is CCCCC(CCCC)(OOCC)OOCC.
What is the InChIKey of 5,5-bis(ethylperoxy)nonane?
The InChIKey is VHTOYFMJDYOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-5-9-11-13(12-10-6-2,16-14-7-3)17-15-8-4/h5-12H2,1-4H3.
What are the key properties of 5,5-bis(ethylperoxy)nonane?
5,5-bis(ethylperoxy)nonane has a molecular weight of 248.36 g/mol, XLogP of 4.00, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(ethylperoxy)nonane is sourced from PubChem (CID 59925772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).