[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride

C17H25Cl2PSiTi — CID 173026425

IUPAC[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride
SMILESCC1=C(C)C(C)C([Si](C)(C)Pc2ccccc2)=C1C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C17H25PSi.2ClH.Ti/c1-12-13(2)15(4)17(14(12)3)19(5,6)18-16-10-8-7-9-11-16;;;/h7-11,14,18H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyRFMFZZOGAJUGLA-UHFFFAOYSA-L
MW407.22 g/mol
LogP-0.96
Rot. Bonds3

About [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride

[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride (PubChem CID 173026425) has the molecular formula C17H25Cl2PSiTi and a molecular weight of 407.22 g/mol. Its IUPAC name is [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride.

Molecular Properties

Compound Name[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride
PubChem CID173026425
Molecular FormulaC17H25Cl2PSiTi
Molecular Weight407.22 g/mol
Exact Mass406.03
IUPAC Name[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride
SMILESCC1=C(C)C(C)C([Si](C)(C)Pc2ccccc2)=C1C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C17H25PSi.2ClH.Ti/c1-12-13(2)15(4)17(14(12)3)19(5,6)18-16-10-8-7-9-11-16;;;/h7-11,14,18H,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyRFMFZZOGAJUGLA-UHFFFAOYSA-L
XLogP-0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride?
The IUPAC name of [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride (CID 173026425) is [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride.
What is the SMILES notation for [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride?
The canonical SMILES for [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride is CC1=C(C)C(C)C([Si](C)(C)Pc2ccccc2)=C1C.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride?
The InChIKey is RFMFZZOGAJUGLA-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H25PSi.2ClH.Ti/c1-12-13(2)15(4)17(14(12)3)19(5,6)18-16-10-8-7-9-11-16;;;/h7-11,14,18H,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride?
[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride has a molecular weight of 407.22 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-phenylphosphane;titanium(2+);dichloride is sourced from PubChem (CID 173026425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).