bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride

C18H26Cl2SiTi — CID 19351719

IUPACbis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride
SMILESCC[Si](CC)(C1=C(C)C[C-]=C1C)C1=C(C)C[C-]=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H26Si.2ClH.Ti/c1-7-19(8-2,17-13(3)9-10-14(17)4)18-15(5)11-12-16(18)6;;;/h7-9,11H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyHXAYWXKOEULOEI-UHFFFAOYSA-L
MW389.27 g/mol
LogP-0.50
Rot. Bonds4

About bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride

bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride (PubChem CID 19351719) has the molecular formula C18H26Cl2SiTi and a molecular weight of 389.27 g/mol. Its IUPAC name is bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride.

Molecular Properties

Compound Namebis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride
PubChem CID19351719
Molecular FormulaC18H26Cl2SiTi
Molecular Weight389.27 g/mol
Exact Mass388.07
IUPAC Namebis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride
SMILESCC[Si](CC)(C1=C(C)C[C-]=C1C)C1=C(C)C[C-]=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C18H26Si.2ClH.Ti/c1-7-19(8-2,17-13(3)9-10-14(17)4)18-15(5)11-12-16(18)6;;;/h7-9,11H2,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyHXAYWXKOEULOEI-UHFFFAOYSA-L
XLogP-0.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 5-0.50
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(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride?
The IUPAC name of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride (CID 19351719) is bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride.
What is the SMILES notation for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride?
The canonical SMILES for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride is CC[Si](CC)(C1=C(C)C[C-]=C1C)C1=C(C)C[C-]=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride?
The InChIKey is HXAYWXKOEULOEI-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H26Si.2ClH.Ti/c1-7-19(8-2,17-13(3)9-10-14(17)4)18-15(5)11-12-16(18)6;;;/h7-9,11H2,1-6H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride?
bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride has a molecular weight of 389.27 g/mol, XLogP of -0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-diethylsilane;titanium(4+);dichloride is sourced from PubChem (CID 19351719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).