diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride

C22H34Cl2SiTi — CID 19351760

IUPACdiethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride
SMILESCC[Si](CC)(C1(C)[C-]=C(C)C(C)=C1C)C1(C)[C-]=C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H34Si.2ClH.Ti/c1-11-23(12-2,21(9)13-15(3)17(5)19(21)7)22(10)14-16(4)18(6)20(22)8;;;/h11-12H2,1-10H3;2*1H;/q-2;;;+4/p-2
InChIKeyDZCJQBGKJJXWIH-UHFFFAOYSA-L
MW445.37 g/mol
LogP1.20
Rot. Bonds4

About diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride

diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride (PubChem CID 19351760) has the molecular formula C22H34Cl2SiTi and a molecular weight of 445.37 g/mol. Its IUPAC name is diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride.

Molecular Properties

Compound Namediethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride
PubChem CID19351760
Molecular FormulaC22H34Cl2SiTi
Molecular Weight445.37 g/mol
Exact Mass444.13
IUPAC Namediethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride
SMILESCC[Si](CC)(C1(C)[C-]=C(C)C(C)=C1C)C1(C)[C-]=C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H34Si.2ClH.Ti/c1-11-23(12-2,21(9)13-15(3)17(5)19(21)7)22(10)14-16(4)18(6)20(22)8;;;/h11-12H2,1-10H3;2*1H;/q-2;;;+4/p-2
InChIKeyDZCJQBGKJJXWIH-UHFFFAOYSA-L
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 51.20
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-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride?
The IUPAC name of diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride (CID 19351760) is diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride.
What is the SMILES notation for diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride?
The canonical SMILES for diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride is CC[Si](CC)(C1(C)[C-]=C(C)C(C)=C1C)C1(C)[C-]=C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride?
The InChIKey is DZCJQBGKJJXWIH-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H34Si.2ClH.Ti/c1-11-23(12-2,21(9)13-15(3)17(5)19(21)7)22(10)14-16(4)18(6)20(22)8;;;/h11-12H2,1-10H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride?
diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride has a molecular weight of 445.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);dichloride is sourced from PubChem (CID 19351760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).