bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride

C28H42Cl2Hf2Si2 — CID 173280773

IUPACbis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl
InChIInChI=1S/4C6H7.2C2H6Si.2ClH.2Hf/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
InChIKeyRIPWHWGPRFUTRO-UHFFFAOYSA-N
MW862.70 g/mol
LogP9.20
Rot. Bonds

About bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride

bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 173280773) has the molecular formula C28H42Cl2Hf2Si2 and a molecular weight of 862.70 g/mol. Its IUPAC name is bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride.

Molecular Properties

Compound Namebis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
PubChem CID173280773
Molecular FormulaC28H42Cl2Hf2Si2
Molecular Weight862.70 g/mol
Exact Mass864.11
IUPAC Namebis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl
InChIInChI=1S/4C6H7.2C2H6Si.2ClH.2Hf/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
InChIKeyRIPWHWGPRFUTRO-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.70
LogP ≤ 59.20
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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Related Compounds

bis(2-methylcyclopenta-1,3-diene);zirconium;trihydrobromide;trihydrochloride
CID 175124905
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(dimethylsilylidenetitanium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dibromide
CID 21266898
CID 173398279
CID 173398279
ethane;hafnium;2-methylcyclopenta-1,3-diene;hydrochloride
CID 174356034
bis(2-methylcyclopenta-1,3-diene);methylidenetitanium(2+);dihydrochloride
CID 87997780
carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
CID 21256036
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+)
CID 22670313
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
The IUPAC name of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride (CID 173280773) is bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride.
What is the SMILES notation for bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
The canonical SMILES for bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride is CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.
What is the InChIKey of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
The InChIKey is RIPWHWGPRFUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H7.2C2H6Si.2ClH.2Hf/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.
What are the key properties of bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride?
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 862.70 g/mol, XLogP of 9.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 173280773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).