1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane

C6H14O6 — CID 175084292

IUPAC1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane
SMILESCCOOC(C)OOC(C)OO
InChIInChI=1S/C6H14O6/c1-4-8-10-6(3)12-11-5(2)9-7/h5-7H,4H2,1-3H3
InChIKeyZKJVBYNHGXHKFD-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.08
Rot. Bonds7

About 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane

1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane (PubChem CID 175084292) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane.

Molecular Properties

Compound Name1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane
PubChem CID175084292
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane
SMILESCCOOC(C)OOC(C)OO
InChIInChI=1S/C6H14O6/c1-4-8-10-6(3)12-11-5(2)9-7/h5-7H,4H2,1-3H3
InChIKeyZKJVBYNHGXHKFD-UHFFFAOYSA-N
XLogP1.08
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
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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Related Compounds

1-(1-ethylperoxyethoxy)ethanamine
CID 174988103
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1-ethylperoxypentan-1-ol
CID 140993826
ethoxyperoxyethane;propane-1,2-diol
CID 87183178
2-hydroperoxy-4-methylhexane
CID 174465795
1,1-diethoxyethane
CID 7765
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethane
CID 89194899
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
ethoxy-hydroxy-methyl-propan-2-yloxysilane
CID 174545360
ethyl-ethylperoxy-methyl-propan-2-ylsilane
CID 123665721
1,1-diethoxyethane;sulfane
CID 87563963
bis(2-hydroperoxypropane);oxotitanium;dihydrochloride
CID 88685018

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane?
The IUPAC name of 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane (CID 175084292) is 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane.
What is the SMILES notation for 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane?
The canonical SMILES for 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane is CCOOC(C)OOC(C)OO.
What is the InChIKey of 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane?
The InChIKey is ZKJVBYNHGXHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6/c1-4-8-10-6(3)12-11-5(2)9-7/h5-7H,4H2,1-3H3.
What are the key properties of 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane?
1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane has a molecular weight of 182.17 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylperoxyethylperoxy)-1-hydroperoxyethane is sourced from PubChem (CID 175084292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).