2-hydroperoxy-2-(2-methoxyethoxy)propane

C6H14O4 — CID 10034782

IUPAC2-hydroperoxy-2-(2-methoxyethoxy)propane
SMILESCOCCOC(C)(C)OO
InChIInChI=1S/C6H14O4/c1-6(2,10-7)9-5-4-8-3/h7H,4-5H2,1-3H3
InChIKeyVRFMLDOHECZOST-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.88
Rot. Bonds5

About 2-hydroperoxy-2-(2-methoxyethoxy)propane

2-hydroperoxy-2-(2-methoxyethoxy)propane (PubChem CID 10034782) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-hydroperoxy-2-(2-methoxyethoxy)propane.

Molecular Properties

Compound Name2-hydroperoxy-2-(2-methoxyethoxy)propane
PubChem CID10034782
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-hydroperoxy-2-(2-methoxyethoxy)propane
SMILESCOCCOC(C)(C)OO
InChIInChI=1S/C6H14O4/c1-6(2,10-7)9-5-4-8-3/h7H,4-5H2,1-3H3
InChIKeyVRFMLDOHECZOST-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane
CID 87061041
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
1,2-dimethoxyethane;tetrachloromethane
CID 88843586
CID 172826348
CID 172826348
zinc;1,2-dimethoxyethane;iodomethane
CID 11144627
2-(2-iodoethoxy)-2-methoxypropane
CID 19858315
2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
CID 65053170
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-(2-methoxyethoxy)propane?
The IUPAC name of 2-hydroperoxy-2-(2-methoxyethoxy)propane (CID 10034782) is 2-hydroperoxy-2-(2-methoxyethoxy)propane.
What is the SMILES notation for 2-hydroperoxy-2-(2-methoxyethoxy)propane?
The canonical SMILES for 2-hydroperoxy-2-(2-methoxyethoxy)propane is COCCOC(C)(C)OO.
What is the InChIKey of 2-hydroperoxy-2-(2-methoxyethoxy)propane?
The InChIKey is VRFMLDOHECZOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-6(2,10-7)9-5-4-8-3/h7H,4-5H2,1-3H3.
What are the key properties of 2-hydroperoxy-2-(2-methoxyethoxy)propane?
2-hydroperoxy-2-(2-methoxyethoxy)propane has a molecular weight of 150.17 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-(2-methoxyethoxy)propane is sourced from PubChem (CID 10034782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).