bis(neodymium(3+));tris(propan-2-olate);trichloride

C9H21Cl3Nd2O3 — CID 19866090

IUPACbis(neodymium(3+));tris(propan-2-olate);trichloride
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Nd+3].[Nd+3]
InChIInChI=1S/3C3H7O.3ClH.2Nd/c3*1-3(2)4;;;;;/h3*3H,1-2H3;3*1H;;/q3*-1;;;;2*+3/p-3
InChIKeyCYNBOAVMTJWHCK-UHFFFAOYSA-K
MW572.10 g/mol
LogP-9.72
Rot. Bonds

About bis(neodymium(3+));tris(propan-2-olate);trichloride

bis(neodymium(3+));tris(propan-2-olate);trichloride (PubChem CID 19866090) has the molecular formula C9H21Cl3Nd2O3 and a molecular weight of 572.10 g/mol. Its IUPAC name is bis(neodymium(3+));tris(propan-2-olate);trichloride.

Molecular Properties

Compound Namebis(neodymium(3+));tris(propan-2-olate);trichloride
PubChem CID19866090
Molecular FormulaC9H21Cl3Nd2O3
Molecular Weight572.10 g/mol
Exact Mass565.87
IUPAC Namebis(neodymium(3+));tris(propan-2-olate);trichloride
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Nd+3].[Nd+3]
InChIInChI=1S/3C3H7O.3ClH.2Nd/c3*1-3(2)4;;;;;/h3*3H,1-2H3;3*1H;;/q3*-1;;;;2*+3/p-3
InChIKeyCYNBOAVMTJWHCK-UHFFFAOYSA-K
XLogP-9.72
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.10
LogP ≤ 5-9.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(neodymium(3+));tris(propan-2-olate);trichloride?
The IUPAC name of bis(neodymium(3+));tris(propan-2-olate);trichloride (CID 19866090) is bis(neodymium(3+));tris(propan-2-olate);trichloride.
What is the SMILES notation for bis(neodymium(3+));tris(propan-2-olate);trichloride?
The canonical SMILES for bis(neodymium(3+));tris(propan-2-olate);trichloride is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Nd+3].[Nd+3].
What is the InChIKey of bis(neodymium(3+));tris(propan-2-olate);trichloride?
The InChIKey is CYNBOAVMTJWHCK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H7O.3ClH.2Nd/c3*1-3(2)4;;;;;/h3*3H,1-2H3;3*1H;;/q3*-1;;;;2*+3/p-3.
What are the key properties of bis(neodymium(3+));tris(propan-2-olate);trichloride?
bis(neodymium(3+));tris(propan-2-olate);trichloride has a molecular weight of 572.10 g/mol, XLogP of -9.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(neodymium(3+));tris(propan-2-olate);trichloride is sourced from PubChem (CID 19866090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).