niobium;1-pentoxypentane

C10H22NbO — CID 57346431

IUPACniobium;1-pentoxypentane
SMILESCCCCCOCCCCC.[Nb]
InChIInChI=1S/C10H22O.Nb/c1-3-5-7-9-11-10-8-6-4-2;/h3-10H2,1-2H3;
InChIKeyGEXNSAQRSOEUAS-UHFFFAOYSA-N
MW251.19 g/mol
LogP3.38
Rot. Bonds8

About niobium;1-pentoxypentane

niobium;1-pentoxypentane (PubChem CID 57346431) has the molecular formula C10H22NbO and a molecular weight of 251.19 g/mol. Its IUPAC name is niobium;1-pentoxypentane.

Molecular Properties

Compound Nameniobium;1-pentoxypentane
PubChem CID57346431
Molecular FormulaC10H22NbO
Molecular Weight251.19 g/mol
Exact Mass251.07
IUPAC Nameniobium;1-pentoxypentane
SMILESCCCCCOCCCCC.[Nb]
InChIInChI=1S/C10H22O.Nb/c1-3-5-7-9-11-10-8-6-4-2;/h3-10H2,1-2H3;
InChIKeyGEXNSAQRSOEUAS-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of niobium;1-pentoxypentane?
The IUPAC name of niobium;1-pentoxypentane (CID 57346431) is niobium;1-pentoxypentane.
What is the SMILES notation for niobium;1-pentoxypentane?
The canonical SMILES for niobium;1-pentoxypentane is CCCCCOCCCCC.[Nb].
What is the InChIKey of niobium;1-pentoxypentane?
The InChIKey is GEXNSAQRSOEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.Nb/c1-3-5-7-9-11-10-8-6-4-2;/h3-10H2,1-2H3;.
What are the key properties of niobium;1-pentoxypentane?
niobium;1-pentoxypentane has a molecular weight of 251.19 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for niobium;1-pentoxypentane is sourced from PubChem (CID 57346431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).