3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane

C10H22O6 — CID 12593571

IUPAC3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane
SMILESCCC(CC)(OO)OOC(CC)(CC)OO
InChIInChI=1S/C10H22O6/c1-5-9(6-2,13-11)15-16-10(7-3,8-4)14-12/h11-12H,5-8H2,1-4H3
InChIKeyFHCAEPGWYQXCKX-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.95
Rot. Bonds9

About 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane

3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane (PubChem CID 12593571) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane.

Molecular Properties

Compound Name3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane
PubChem CID12593571
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane
SMILESCCC(CC)(OO)OOC(CC)(CC)OO
InChIInChI=1S/C10H22O6/c1-5-9(6-2,13-11)15-16-10(7-3,8-4)14-12/h11-12H,5-8H2,1-4H3
InChIKeyFHCAEPGWYQXCKX-UHFFFAOYSA-N
XLogP2.95
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane?
The IUPAC name of 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane (CID 12593571) is 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane.
What is the SMILES notation for 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane?
The canonical SMILES for 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane is CCC(CC)(OO)OOC(CC)(CC)OO.
What is the InChIKey of 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane?
The InChIKey is FHCAEPGWYQXCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6/c1-5-9(6-2,13-11)15-16-10(7-3,8-4)14-12/h11-12H,5-8H2,1-4H3.
What are the key properties of 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane?
3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane has a molecular weight of 238.28 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-3-(3-hydroperoxypentan-3-ylperoxy)pentane is sourced from PubChem (CID 12593571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).