propan-2-ol;tantalum

C3H7OTa- — CID 174791466

IUPACpropan-2-ol;tantalum
SMILESC[C-](C)O.[Ta]
InChIInChI=1S/C3H7O.Ta/c1-3(2)4;/h4H,1-2H3;/q-1;
InChIKeyVDEJTUBWPYKXEH-UHFFFAOYSA-N
MW240.04 g/mol
LogP0.93
Rot. Bonds

About propan-2-ol;tantalum

propan-2-ol;tantalum (PubChem CID 174791466) has the molecular formula C3H7OTa- and a molecular weight of 240.04 g/mol. Its IUPAC name is propan-2-ol;tantalum.

Molecular Properties

Compound Namepropan-2-ol;tantalum
PubChem CID174791466
Molecular FormulaC3H7OTa-
Molecular Weight240.04 g/mol
Exact Mass240.00
IUPAC Namepropan-2-ol;tantalum
SMILESC[C-](C)O.[Ta]
InChIInChI=1S/C3H7O.Ta/c1-3(2)4;/h4H,1-2H3;/q-1;
InChIKeyVDEJTUBWPYKXEH-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.93
H-Bond Donors ≤ 51
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 propan-2-ol;tantalum?
The IUPAC name of propan-2-ol;tantalum (CID 174791466) is propan-2-ol;tantalum.
What is the SMILES notation for propan-2-ol;tantalum?
The canonical SMILES for propan-2-ol;tantalum is C[C-](C)O.[Ta].
What is the InChIKey of propan-2-ol;tantalum?
The InChIKey is VDEJTUBWPYKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Ta/c1-3(2)4;/h4H,1-2H3;/q-1;.
What are the key properties of propan-2-ol;tantalum?
propan-2-ol;tantalum has a molecular weight of 240.04 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;tantalum is sourced from PubChem (CID 174791466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).