diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride

C20H30Cl2SiTi — CID 19351717

IUPACdiethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride
SMILESCC[Si](CC)(C1=C(C)C(C)[C-]=C1C)C1=C(C)C(C)[C-]=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H30Si.2ClH.Ti/c1-9-21(10-2,19-15(5)11-13(3)17(19)7)20-16(6)12-14(4)18(20)8;;;/h13-14H,9-10H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyIZXVXEAFEZLACJ-UHFFFAOYSA-L
MW417.32 g/mol
LogP-0.01
Rot. Bonds4

About diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride

diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride (PubChem CID 19351717) has the molecular formula C20H30Cl2SiTi and a molecular weight of 417.32 g/mol. Its IUPAC name is diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride.

Molecular Properties

Compound Namediethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride
PubChem CID19351717
Molecular FormulaC20H30Cl2SiTi
Molecular Weight417.32 g/mol
Exact Mass416.10
IUPAC Namediethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride
SMILESCC[Si](CC)(C1=C(C)C(C)[C-]=C1C)C1=C(C)C(C)[C-]=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C20H30Si.2ClH.Ti/c1-9-21(10-2,19-15(5)11-13(3)17(19)7)20-16(6)12-14(4)18(20)8;;;/h13-14H,9-10H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyIZXVXEAFEZLACJ-UHFFFAOYSA-L
XLogP-0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 5-0.01
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(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride?
The IUPAC name of diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride (CID 19351717) is diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride.
What is the SMILES notation for diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride?
The canonical SMILES for diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride is CC[Si](CC)(C1=C(C)C(C)[C-]=C1C)C1=C(C)C(C)[C-]=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride?
The InChIKey is IZXVXEAFEZLACJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H30Si.2ClH.Ti/c1-9-21(10-2,19-15(5)11-13(3)17(19)7)20-16(6)12-14(4)18(20)8;;;/h13-14H,9-10H2,1-8H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride?
diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride has a molecular weight of 417.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);dichloride is sourced from PubChem (CID 19351717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).