ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride

C2H6Cl14NbOTaW-4 — CID 159088382

IUPACethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride
SMILESCCO.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5].[Ta+5].[W]
InChIInChI=1S/C2H6O.14ClH.Nb.Ta.W/c1-2-3;;;;;;;;;;;;;;;;;/h3H,2H2,1H3;14*1H;;;/q;;;;;;;;;;;;;;;2*+5;/p-14
InChIKeyYZAXNDPLSXYVEA-UHFFFAOYSA-A
MW1000.10 g/mol
LogP-41.95
Rot. Bonds

About ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride

ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride (PubChem CID 159088382) has the molecular formula C2H6Cl14NbOTaW-4 and a molecular weight of 1000.10 g/mol. Its IUPAC name is ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride.

Molecular Properties

Compound Nameethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride
PubChem CID159088382
Molecular FormulaC2H6Cl14NbOTaW-4
Molecular Weight1000.10 g/mol
Exact Mass993.41
IUPAC Nameethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride
SMILESCCO.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5].[Ta+5].[W]
InChIInChI=1S/C2H6O.14ClH.Nb.Ta.W/c1-2-3;;;;;;;;;;;;;;;;;/h3H,2H2,1H3;14*1H;;;/q;;;;;;;;;;;;;;;2*+5;/p-14
InChIKeyYZAXNDPLSXYVEA-UHFFFAOYSA-A
XLogP-41.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001000.10
LogP ≤ 5-41.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride?
The IUPAC name of ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride (CID 159088382) is ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride.
What is the SMILES notation for ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride?
The canonical SMILES for ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride is CCO.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5].[Ta+5].[W].
What is the InChIKey of ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride?
The InChIKey is YZAXNDPLSXYVEA-UHFFFAOYSA-A. The full InChI is InChI=1S/C2H6O.14ClH.Nb.Ta.W/c1-2-3;;;;;;;;;;;;;;;;;/h3H,2H2,1H3;14*1H;;;/q;;;;;;;;;;;;;;;2*+5;/p-14.
What are the key properties of ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride?
ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride has a molecular weight of 1000.10 g/mol, XLogP of -41.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;niobium(5+);tantalum(5+);tungsten;tetradecachloride is sourced from PubChem (CID 159088382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).