bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide

C28H40Br2Si2Ti2-2 — CID 21266898

IUPACbis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Ti+2].C[Si](C)=[Ti+2].[Br-].[Br-]
InChIInChI=1S/4C6H7.2C2H6Si.2BrH.2Ti/c4*1-6-4-2-3-5-6;2*1-3-2;;;;/h4*2,4H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyMEGBWIAPRLDDAL-UHFFFAOYSA-L
MW688.34 g/mol
LogP2.36
Rot. Bonds

About bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide

bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide (PubChem CID 21266898) has the molecular formula C28H40Br2Si2Ti2-2 and a molecular weight of 688.34 g/mol. Its IUPAC name is bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide.

Molecular Properties

Compound Namebis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide
PubChem CID21266898
Molecular FormulaC28H40Br2Si2Ti2-2
Molecular Weight688.34 g/mol
Exact Mass686.00
IUPAC Namebis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Ti+2].C[Si](C)=[Ti+2].[Br-].[Br-]
InChIInChI=1S/4C6H7.2C2H6Si.2BrH.2Ti/c4*1-6-4-2-3-5-6;2*1-3-2;;;;/h4*2,4H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyMEGBWIAPRLDDAL-UHFFFAOYSA-L
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500688.34
LogP ≤ 52.36
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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Related Compounds

chromium;2-methylcyclopenta-1,3-diene
CID 173304853
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
CID 173280773
bis(2-methylcyclopenta-1,3-diene);methylidenetitanium(2+);dihydrochloride
CID 87997780
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
methane;bis(2-methylcyclopenta-1,3-diene);zirconium(2+)
CID 22027318
hydride;bis(2-methylcyclopenta-1,3-diene);tantalum(2+)
CID 173032575

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide?
The IUPAC name of bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide (CID 21266898) is bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide.
What is the SMILES notation for bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide?
The canonical SMILES for bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide is CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Ti+2].C[Si](C)=[Ti+2].[Br-].[Br-].
What is the InChIKey of bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide?
The InChIKey is MEGBWIAPRLDDAL-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6H7.2C2H6Si.2BrH.2Ti/c4*1-6-4-2-3-5-6;2*1-3-2;;;;/h4*2,4H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide?
bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide has a molecular weight of 688.34 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide is sourced from PubChem (CID 21266898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).