2-hydroperoxyperoxy-4-methylpentane

C6H14O4 — CID 88547567

IUPAC2-hydroperoxyperoxy-4-methylpentane
SMILESCC(C)CC(C)OOOO
InChIInChI=1S/C6H14O4/c1-5(2)4-6(3)8-10-9-7/h5-7H,4H2,1-3H3
InChIKeyXHEJVGUVPJBBQG-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.77
Rot. Bonds5

About 2-hydroperoxyperoxy-4-methylpentane

2-hydroperoxyperoxy-4-methylpentane (PubChem CID 88547567) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-hydroperoxyperoxy-4-methylpentane.

Molecular Properties

Compound Name2-hydroperoxyperoxy-4-methylpentane
PubChem CID88547567
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-hydroperoxyperoxy-4-methylpentane
SMILESCC(C)CC(C)OOOO
InChIInChI=1S/C6H14O4/c1-5(2)4-6(3)8-10-9-7/h5-7H,4H2,1-3H3
InChIKeyXHEJVGUVPJBBQG-UHFFFAOYSA-N
XLogP1.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate
CID 160843506
2-hydroperoxyperoxyperoxyhexane
CID 87664720
2-hydroperoxyperoxy-3-iodobutane
CID 89115927
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
4-methylpentan-2-yloxymethanethioic S-acid
CID 56984690
[(2S)-4-methylpentan-2-yl] carbonochloridate
CID 92951159
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
2,4-dimethylpentane
CID 157050020
2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
CID 600299
2,3-bis(4-methylpentan-2-yloxy)butanedioic acid
CID 18506290
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
CID 10241836

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyperoxy-4-methylpentane?
The IUPAC name of 2-hydroperoxyperoxy-4-methylpentane (CID 88547567) is 2-hydroperoxyperoxy-4-methylpentane.
What is the SMILES notation for 2-hydroperoxyperoxy-4-methylpentane?
The canonical SMILES for 2-hydroperoxyperoxy-4-methylpentane is CC(C)CC(C)OOOO.
What is the InChIKey of 2-hydroperoxyperoxy-4-methylpentane?
The InChIKey is XHEJVGUVPJBBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-5(2)4-6(3)8-10-9-7/h5-7H,4H2,1-3H3.
What are the key properties of 2-hydroperoxyperoxy-4-methylpentane?
2-hydroperoxyperoxy-4-methylpentane has a molecular weight of 150.17 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyperoxy-4-methylpentane is sourced from PubChem (CID 88547567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).