hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride

C28H36Cl2HfSi2 — CID 173283156

IUPAChafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride
SMILESCC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.C[SiH2][Si](C)(C)C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H11.C4H14Si2.2ClH.Hf/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-5-6(2,3)4;;;/h2*2-6,9H,8H2,1H3;5H2,1-4H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyDXYCTJLONNEDEH-UHFFFAOYSA-L
MW678.16 g/mol
LogP1.49
Rot. Bonds3

About hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride

hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride (PubChem CID 173283156) has the molecular formula C28H36Cl2HfSi2 and a molecular weight of 678.16 g/mol. Its IUPAC name is hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride.

Molecular Properties

Compound Namehafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride
PubChem CID173283156
Molecular FormulaC28H36Cl2HfSi2
Molecular Weight678.16 g/mol
Exact Mass678.12
IUPAC Namehafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride
SMILESCC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.C[SiH2][Si](C)(C)C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C12H11.C4H14Si2.2ClH.Hf/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-5-6(2,3)4;;;/h2*2-6,9H,8H2,1H3;5H2,1-4H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyDXYCTJLONNEDEH-UHFFFAOYSA-L
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.16
LogP ≤ 51.49
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

(3-methylcyclopenta-1,3-dien-1-yl)benzene;zirconium(3+);dichloride
CID 162047875
bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);zirconium(4+);dichloride
CID 174410775
(3-methylcyclopenta-1,3-dien-1-yl)benzene;zirconium
CID 154195441
carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride
CID 173283737
bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
CID 21261564
dimethylgermylidenezirconium(2+);(3-methylcyclopenta-1,3-dien-1-yl)benzene;2,3,5-trimethylcyclopenta-1,3-diene;dichloride
CID 21261252
bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
CID 173283440
tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 21261515
bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
CID 21261254
bis((4-tert-butylcyclopenta-1,4-dien-1-yl)benzene);hafnium(4+);dichloride
CID 174391384
CID 159910475
CID 159910475
carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride
CID 173299806

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride?
The IUPAC name of hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride (CID 173283156) is hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride.
What is the SMILES notation for hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride?
The canonical SMILES for hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride is CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.C[SiH2][Si](C)(C)C.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride?
The InChIKey is DXYCTJLONNEDEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H11.C4H14Si2.2ClH.Hf/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-5-6(2,3)4;;;/h2*2-6,9H,8H2,1H3;5H2,1-4H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride?
hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride has a molecular weight of 678.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);trimethyl(methylsilyl)silane;dichloride is sourced from PubChem (CID 173283156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).