1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane

C12H26O10 — CID 142738509

IUPAC1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane
SMILESCC(CCCCOOCCCCC(C)(OO)OO)(OO)OO
InChIInChI=1S/C12H26O10/c1-11(19-13,20-14)7-3-5-9-17-18-10-6-4-8-12(2,21-15)22-16/h13-16H,3-10H2,1-2H3
InChIKeyLWBJFIXFVQBFSZ-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.67
Rot. Bonds15

About 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane

1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane (PubChem CID 142738509) has the molecular formula C12H26O10 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane.

Molecular Properties

Compound Name1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane
PubChem CID142738509
Molecular FormulaC12H26O10
Molecular Weight330.33 g/mol
Exact Mass330.15
IUPAC Name1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane
SMILESCC(CCCCOOCCCCC(C)(OO)OO)(OO)OO
InChIInChI=1S/C12H26O10/c1-11(19-13,20-14)7-3-5-9-17-18-10-6-4-8-12(2,21-15)22-16/h13-16H,3-10H2,1-2H3
InChIKeyLWBJFIXFVQBFSZ-UHFFFAOYSA-N
XLogP2.67
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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1,9-bis(trioxidanyl)nonane
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CID 140639786
2-hydroperoxy-2-methylnonane
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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane?
The IUPAC name of 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane (CID 142738509) is 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane.
What is the SMILES notation for 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane?
The canonical SMILES for 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane is CC(CCCCOOCCCCC(C)(OO)OO)(OO)OO.
What is the InChIKey of 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane?
The InChIKey is LWBJFIXFVQBFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O10/c1-11(19-13,20-14)7-3-5-9-17-18-10-6-4-8-12(2,21-15)22-16/h13-16H,3-10H2,1-2H3.
What are the key properties of 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane?
1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane has a molecular weight of 330.33 g/mol, XLogP of 2.67, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane is sourced from PubChem (CID 142738509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).