bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride

C16H22Cl2SiTi — CID 87276971

IUPACbis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride
SMILESCC1=C(C)C([Si](C)(C)C2=[C-]CC(C)=C2C)=[C-]C1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C16H22Si.2ClH.Ti/c1-11-7-9-15(13(11)3)17(5,6)16-10-8-12(2)14(16)4;;;/h7-8H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyGTFLIHJSLWNZPD-UHFFFAOYSA-L
MW361.21 g/mol
LogP-1.28
Rot. Bonds2

About bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride

bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride (PubChem CID 87276971) has the molecular formula C16H22Cl2SiTi and a molecular weight of 361.21 g/mol. Its IUPAC name is bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride.

Molecular Properties

Compound Namebis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride
PubChem CID87276971
Molecular FormulaC16H22Cl2SiTi
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Namebis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride
SMILESCC1=C(C)C([Si](C)(C)C2=[C-]CC(C)=C2C)=[C-]C1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C16H22Si.2ClH.Ti/c1-11-7-9-15(13(11)3)17(5,6)16-10-8-12(2)14(16)4;;;/h7-8H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyGTFLIHJSLWNZPD-UHFFFAOYSA-L
XLogP-1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 5-1.28
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 bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride?
The IUPAC name of bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride (CID 87276971) is bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride.
What is the SMILES notation for bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride?
The canonical SMILES for bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride is CC1=C(C)C([Si](C)(C)C2=[C-]CC(C)=C2C)=[C-]C1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride?
The InChIKey is GTFLIHJSLWNZPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H22Si.2ClH.Ti/c1-11-7-9-15(13(11)3)17(5,6)16-10-8-12(2)14(16)4;;;/h7-8H2,1-6H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride?
bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride has a molecular weight of 361.21 g/mol, XLogP of -1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dimethylcyclopenta-1,4-dien-1-yl)-dimethylsilane;titanium(4+);dichloride is sourced from PubChem (CID 87276971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).