diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)

C19H21Cl3SiTi — CID 88592866

IUPACdiethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)
SMILESCC[Si](CC)(c1ccccc1)[c-]1ccc2ccccc21.Cl[Ti+](Cl)Cl
InChIInChI=1S/C19H21Si.3ClH.Ti/c1-3-20(4-2,17-11-6-5-7-12-17)19-15-14-16-10-8-9-13-18(16)19;;;;/h5-15H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyKOSFBUBGOFCWNQ-UHFFFAOYSA-K
MW431.69 g/mol
LogP6.23
Rot. Bonds4

About diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)

diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+) (PubChem CID 88592866) has the molecular formula C19H21Cl3SiTi and a molecular weight of 431.69 g/mol. Its IUPAC name is diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+).

Molecular Properties

Compound Namediethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)
PubChem CID88592866
Molecular FormulaC19H21Cl3SiTi
Molecular Weight431.69 g/mol
Exact Mass430.00
IUPAC Namediethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)
SMILESCC[Si](CC)(c1ccccc1)[c-]1ccc2ccccc21.Cl[Ti+](Cl)Cl
InChIInChI=1S/C19H21Si.3ClH.Ti/c1-3-20(4-2,17-11-6-5-7-12-17)19-15-14-16-10-8-9-13-18(16)19;;;;/h5-15H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyKOSFBUBGOFCWNQ-UHFFFAOYSA-K
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.69
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)?
The IUPAC name of diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+) (CID 88592866) is diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+).
What is the SMILES notation for diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)?
The canonical SMILES for diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+) is CC[Si](CC)(c1ccccc1)[c-]1ccc2ccccc21.Cl[Ti+](Cl)Cl.
What is the InChIKey of diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)?
The InChIKey is KOSFBUBGOFCWNQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H21Si.3ClH.Ti/c1-3-20(4-2,17-11-6-5-7-12-17)19-15-14-16-10-8-9-13-18(16)19;;;;/h5-15H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)?
diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+) has a molecular weight of 431.69 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+) is sourced from PubChem (CID 88592866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).