tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride

C20H20Cl4Nb2O — CID 3033520

IUPACtetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5].[Nb+5].[O-2].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/4C5H5.4ClH.2Nb.O/c4*1-2-4-5-3-1;;;;;;;/h4*1-5H;4*1H;;;/q4*-1;;;;;2*+5;-2/p-4
InChIKeyDMQZRSHZIQHXJQ-UHFFFAOYSA-J
MW604.00 g/mol
LogP-6.49
Rot. Bonds

About tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride

tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride (PubChem CID 3033520) has the molecular formula C20H20Cl4Nb2O and a molecular weight of 604.00 g/mol. Its IUPAC name is tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride.

Molecular Properties

Compound Nametetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride
PubChem CID3033520
Molecular FormulaC20H20Cl4Nb2O
Molecular Weight604.00 g/mol
Exact Mass601.84
IUPAC Nametetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Nb+5].[Nb+5].[O-2].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/4C5H5.4ClH.2Nb.O/c4*1-2-4-5-3-1;;;;;;;/h4*1-5H;4*1H;;;/q4*-1;;;;;2*+5;-2/p-4
InChIKeyDMQZRSHZIQHXJQ-UHFFFAOYSA-J
XLogP-6.49
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.00
LogP ≤ 5-6.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride?
The IUPAC name of tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride (CID 3033520) is tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride.
What is the SMILES notation for tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride?
The canonical SMILES for tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Nb+5].[Nb+5].[O-2].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride?
The InChIKey is DMQZRSHZIQHXJQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5.4ClH.2Nb.O/c4*1-2-4-5-3-1;;;;;;;/h4*1-5H;4*1H;;;/q4*-1;;;;;2*+5;-2/p-4.
What are the key properties of tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride?
tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride has a molecular weight of 604.00 g/mol, XLogP of -6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclopenta-1,3-diene);bis(niobium(5+));oxygen(2-);tetrachloride is sourced from PubChem (CID 3033520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).