trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane

C14H22Cl3Si2Ta — CID 134981460

IUPACtrichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane
SMILESC[Si](C)(C)C1=CC2=CC=C([Si](C)(C)C)C2=C1.Cl[Ta](Cl)Cl
InChIInChI=1S/C14H22Si2.3ClH.Ta/c1-15(2,3)12-9-11-7-8-14(13(11)10-12)16(4,5)6;;;;/h7-10H,1-6H3;3*1H;/q;;;;+3/p-3
InChIKeyBPKAKLLTZDWZTM-UHFFFAOYSA-K
MW533.81 g/mol
LogP6.54
Rot. Bonds2

About trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane

trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane (PubChem CID 134981460) has the molecular formula C14H22Cl3Si2Ta and a molecular weight of 533.81 g/mol. Its IUPAC name is trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane.

Molecular Properties

Compound Nametrichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane
PubChem CID134981460
Molecular FormulaC14H22Cl3Si2Ta
Molecular Weight533.81 g/mol
Exact Mass531.98
IUPAC Nametrichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane
SMILESC[Si](C)(C)C1=CC2=CC=C([Si](C)(C)C)C2=C1.Cl[Ta](Cl)Cl
InChIInChI=1S/C14H22Si2.3ClH.Ta/c1-15(2,3)12-9-11-7-8-14(13(11)10-12)16(4,5)6;;;;/h7-10H,1-6H3;3*1H;/q;;;;+3/p-3
InChIKeyBPKAKLLTZDWZTM-UHFFFAOYSA-K
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.81
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane?
The IUPAC name of trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane (CID 134981460) is trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane.
What is the SMILES notation for trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane?
The canonical SMILES for trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane is C[Si](C)(C)C1=CC2=CC=C([Si](C)(C)C)C2=C1.Cl[Ta](Cl)Cl.
What is the InChIKey of trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane?
The InChIKey is BPKAKLLTZDWZTM-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H22Si2.3ClH.Ta/c1-15(2,3)12-9-11-7-8-14(13(11)10-12)16(4,5)6;;;;/h7-10H,1-6H3;3*1H;/q;;;;+3/p-3.
What are the key properties of trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane?
trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane has a molecular weight of 533.81 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichlorotantalum;trimethyl-(4-trimethylsilylpentalen-2-yl)silane is sourced from PubChem (CID 134981460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).