hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)

C12H17Ta-3 — CID 173032575

IUPAChydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.[H-].[H-].[H-].[Ta+2]
InChIInChI=1S/2C6H7.Ta.3H/c2*1-6-4-2-3-5-6;;;;/h2*2,4H,3H2,1H3;;;;/q2*-1;+2;3*-1
InChIKeyGHODHFCJBWGIMQ-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.73
Rot. Bonds

About hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)

hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+) (PubChem CID 173032575) has the molecular formula C12H17Ta-3 and a molecular weight of 342.22 g/mol. Its IUPAC name is hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+).

Molecular Properties

Compound Namehydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
PubChem CID173032575
Molecular FormulaC12H17Ta-3
Molecular Weight342.22 g/mol
Exact Mass342.08
IUPAC Namehydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.[H-].[H-].[H-].[Ta+2]
InChIInChI=1S/2C6H7.Ta.3H/c2*1-6-4-2-3-5-6;;;;/h2*2,4H,3H2,1H3;;;;/q2*-1;+2;3*-1
InChIKeyGHODHFCJBWGIMQ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)?
The IUPAC name of hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+) (CID 173032575) is hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+).
What is the SMILES notation for hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)?
The canonical SMILES for hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+) is CC1=[C-]CC=C1.CC1=[C-]CC=C1.[H-].[H-].[H-].[Ta+2].
What is the InChIKey of hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)?
The InChIKey is GHODHFCJBWGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7.Ta.3H/c2*1-6-4-2-3-5-6;;;;/h2*2,4H,3H2,1H3;;;;/q2*-1;+2;3*-1.
What are the key properties of hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)?
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+) has a molecular weight of 342.22 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+) is sourced from PubChem (CID 173032575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).