1,1-dimethoxyethane;trichloroniobium

C4H10Cl3NbO2 — CID 19377144

IUPAC1,1-dimethoxyethane;trichloroniobium
SMILESCOC(C)OC.Cl[Nb](Cl)Cl
InChIInChI=1S/C4H10O2.3ClH.Nb/c1-4(5-2)6-3;;;;/h4H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyJHMOQPSXCPLNDH-UHFFFAOYSA-K
MW289.39 g/mol
LogP2.69
Rot. Bonds2

About 1,1-dimethoxyethane;trichloroniobium

1,1-dimethoxyethane;trichloroniobium (PubChem CID 19377144) has the molecular formula C4H10Cl3NbO2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1,1-dimethoxyethane;trichloroniobium.

Molecular Properties

Compound Name1,1-dimethoxyethane;trichloroniobium
PubChem CID19377144
Molecular FormulaC4H10Cl3NbO2
Molecular Weight289.39 g/mol
Exact Mass287.88
IUPAC Name1,1-dimethoxyethane;trichloroniobium
SMILESCOC(C)OC.Cl[Nb](Cl)Cl
InChIInChI=1S/C4H10O2.3ClH.Nb/c1-4(5-2)6-3;;;;/h4H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyJHMOQPSXCPLNDH-UHFFFAOYSA-K
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;trichloroniobium?
The IUPAC name of 1,1-dimethoxyethane;trichloroniobium (CID 19377144) is 1,1-dimethoxyethane;trichloroniobium.
What is the SMILES notation for 1,1-dimethoxyethane;trichloroniobium?
The canonical SMILES for 1,1-dimethoxyethane;trichloroniobium is COC(C)OC.Cl[Nb](Cl)Cl.
What is the InChIKey of 1,1-dimethoxyethane;trichloroniobium?
The InChIKey is JHMOQPSXCPLNDH-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H10O2.3ClH.Nb/c1-4(5-2)6-3;;;;/h4H,1-3H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1,1-dimethoxyethane;trichloroniobium?
1,1-dimethoxyethane;trichloroniobium has a molecular weight of 289.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;trichloroniobium is sourced from PubChem (CID 19377144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).