2-methylpropane;oxotantalum

C4H9OTa- — CID 154320784

IUPAC2-methylpropane;oxotantalum
SMILESC[C-](C)C.O=[Ta]
InChIInChI=1S/C4H9.O.Ta/c1-4(2)3;;/h1-3H3;;/q-1;;
InChIKeyKJXYFIUAHXVNNG-UHFFFAOYSA-N
MW254.06 g/mol
LogP1.50
Rot. Bonds

About 2-methylpropane;oxotantalum

2-methylpropane;oxotantalum (PubChem CID 154320784) has the molecular formula C4H9OTa- and a molecular weight of 254.06 g/mol. Its IUPAC name is 2-methylpropane;oxotantalum.

Molecular Properties

Compound Name2-methylpropane;oxotantalum
PubChem CID154320784
Molecular FormulaC4H9OTa-
Molecular Weight254.06 g/mol
Exact Mass254.01
IUPAC Name2-methylpropane;oxotantalum
SMILESC[C-](C)C.O=[Ta]
InChIInChI=1S/C4H9.O.Ta/c1-4(2)3;;/h1-3H3;;/q-1;;
InChIKeyKJXYFIUAHXVNNG-UHFFFAOYSA-N
XLogP1.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methylpropane;oxotantalum?
The IUPAC name of 2-methylpropane;oxotantalum (CID 154320784) is 2-methylpropane;oxotantalum.
What is the SMILES notation for 2-methylpropane;oxotantalum?
The canonical SMILES for 2-methylpropane;oxotantalum is C[C-](C)C.O=[Ta].
What is the InChIKey of 2-methylpropane;oxotantalum?
The InChIKey is KJXYFIUAHXVNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.O.Ta/c1-4(2)3;;/h1-3H3;;/q-1;;.
What are the key properties of 2-methylpropane;oxotantalum?
2-methylpropane;oxotantalum has a molecular weight of 254.06 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;oxotantalum is sourced from PubChem (CID 154320784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).