niobium;hexakis(propan-1-ol)

C18H48NbO6 — CID 142301963

IUPACniobium;hexakis(propan-1-ol)
SMILESCCCO.CCCO.CCCO.CCCO.CCCO.CCCO.[Nb]
InChIInChI=1S/6C3H8O.Nb/c6*1-2-3-4;/h6*4H,2-3H2,1H3;
InChIKeyOKPPDDONSJUANC-UHFFFAOYSA-N
MW453.48 g/mol
LogP2.33
Rot. Bonds6

About niobium;hexakis(propan-1-ol)

niobium;hexakis(propan-1-ol) (PubChem CID 142301963) has the molecular formula C18H48NbO6 and a molecular weight of 453.48 g/mol. Its IUPAC name is niobium;hexakis(propan-1-ol).

Molecular Properties

Compound Nameniobium;hexakis(propan-1-ol)
PubChem CID142301963
Molecular FormulaC18H48NbO6
Molecular Weight453.48 g/mol
Exact Mass453.25
IUPAC Nameniobium;hexakis(propan-1-ol)
SMILESCCCO.CCCO.CCCO.CCCO.CCCO.CCCO.[Nb]
InChIInChI=1S/6C3H8O.Nb/c6*1-2-3-4;/h6*4H,2-3H2,1H3;
InChIKeyOKPPDDONSJUANC-UHFFFAOYSA-N
XLogP2.33
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.48
LogP ≤ 52.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of niobium;hexakis(propan-1-ol)?
The IUPAC name of niobium;hexakis(propan-1-ol) (CID 142301963) is niobium;hexakis(propan-1-ol).
What is the SMILES notation for niobium;hexakis(propan-1-ol)?
The canonical SMILES for niobium;hexakis(propan-1-ol) is CCCO.CCCO.CCCO.CCCO.CCCO.CCCO.[Nb].
What is the InChIKey of niobium;hexakis(propan-1-ol)?
The InChIKey is OKPPDDONSJUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C3H8O.Nb/c6*1-2-3-4;/h6*4H,2-3H2,1H3;.
What are the key properties of niobium;hexakis(propan-1-ol)?
niobium;hexakis(propan-1-ol) has a molecular weight of 453.48 g/mol, XLogP of 2.33, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for niobium;hexakis(propan-1-ol) is sourced from PubChem (CID 142301963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).