methylperoxyethane;niobium

C3H8NbO2 — CID 139791519

IUPACmethylperoxyethane;niobium
SMILESCCOOC.[Nb]
InChIInChI=1S/C3H8O2.Nb/c1-3-5-4-2;/h3H2,1-2H3;
InChIKeyZVZCLTCWNANGGO-UHFFFAOYSA-N
MW169.00 g/mol
LogP0.58
Rot. Bonds2

About methylperoxyethane;niobium

methylperoxyethane;niobium (PubChem CID 139791519) has the molecular formula C3H8NbO2 and a molecular weight of 169.00 g/mol. Its IUPAC name is methylperoxyethane;niobium.

Molecular Properties

Compound Namemethylperoxyethane;niobium
PubChem CID139791519
Molecular FormulaC3H8NbO2
Molecular Weight169.00 g/mol
Exact Mass168.96
IUPAC Namemethylperoxyethane;niobium
SMILESCCOOC.[Nb]
InChIInChI=1S/C3H8O2.Nb/c1-3-5-4-2;/h3H2,1-2H3;
InChIKeyZVZCLTCWNANGGO-UHFFFAOYSA-N
XLogP0.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.00
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methoxyperoxyperoxyperoxyethane
CID 89243082
ethoxyperoxyethane;phosphane
CID 174988204
ethane;methoxyethane;2-methylpropane
CID 144654475
methane;methoxyethane
CID 158573885
methoxyethane;hydroiodide
CID 162009435
1-methylperoxydocosane
CID 173387093
1-methylperoxydecane
CID 20726912
azane;methoxyethane;trihydrofluoride
CID 175134098
alumane;methoxyethane;hydrofluoride
CID 173390601
ethene;methoxyethane
CID 162163830
2-ethylperoxy-2,4,4-trimethylpentane
CID 141398016
diethoxy methyl phosphate
CID 154199840

Frequently Asked Questions

What is the IUPAC name of methylperoxyethane;niobium?
The IUPAC name of methylperoxyethane;niobium (CID 139791519) is methylperoxyethane;niobium.
What is the SMILES notation for methylperoxyethane;niobium?
The canonical SMILES for methylperoxyethane;niobium is CCOOC.[Nb].
What is the InChIKey of methylperoxyethane;niobium?
The InChIKey is ZVZCLTCWNANGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.Nb/c1-3-5-4-2;/h3H2,1-2H3;.
What are the key properties of methylperoxyethane;niobium?
methylperoxyethane;niobium has a molecular weight of 169.00 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyethane;niobium is sourced from PubChem (CID 139791519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).