5,5-bis(methylperoxy)nonane

C11H24O4 — CID 11830978

IUPAC5,5-bis(methylperoxy)nonane
SMILESCCCCC(CCCC)(OOC)OOC
InChIInChI=1S/C11H24O4/c1-5-7-9-11(14-12-3,15-13-4)10-8-6-2/h5-10H2,1-4H3
InChIKeyXQMHCOCIRLIWOS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.22
Rot. Bonds10

About 5,5-bis(methylperoxy)nonane

5,5-bis(methylperoxy)nonane (PubChem CID 11830978) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5,5-bis(methylperoxy)nonane.

Molecular Properties

Compound Name5,5-bis(methylperoxy)nonane
PubChem CID11830978
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name5,5-bis(methylperoxy)nonane
SMILESCCCCC(CCCC)(OOC)OOC
InChIInChI=1S/C11H24O4/c1-5-7-9-11(14-12-3,15-13-4)10-8-6-2/h5-10H2,1-4H3
InChIKeyXQMHCOCIRLIWOS-UHFFFAOYSA-N
XLogP3.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.22
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(ethylperoxy)nonane
CID 59925772
4,4-bis(tert-butylperoxy)octane
CID 139956822
4,4-bis(2,3,3-trimethylbutan-2-ylperoxy)octane
CID 139956857
5,5-dibutoxynonane
CID 89440038
2-ethyl-2-methylperoxyhexanoic acid
CID 175904279
3,3-dimethoxynonane
CID 14785776
5-methoxy-5-pentoxytetradecane
CID 161410500
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
5,5-di(propan-2-yloxy)tetradecane
CID 150108162
1,2,2-trimethoxyundecane
CID 151416745
4,4-bis(2,3-dimethylbutan-2-ylperoxy)nonane
CID 139956808
methoxymethane;pentane
CID 87151149

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methylperoxy)nonane?
The IUPAC name of 5,5-bis(methylperoxy)nonane (CID 11830978) is 5,5-bis(methylperoxy)nonane.
What is the SMILES notation for 5,5-bis(methylperoxy)nonane?
The canonical SMILES for 5,5-bis(methylperoxy)nonane is CCCCC(CCCC)(OOC)OOC.
What is the InChIKey of 5,5-bis(methylperoxy)nonane?
The InChIKey is XQMHCOCIRLIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-5-7-9-11(14-12-3,15-13-4)10-8-6-2/h5-10H2,1-4H3.
What are the key properties of 5,5-bis(methylperoxy)nonane?
5,5-bis(methylperoxy)nonane has a molecular weight of 220.31 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methylperoxy)nonane is sourced from PubChem (CID 11830978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).