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

C40H66Cl2Hf2Si2 — CID 173045400

IUPACtetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
SMILESCCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl
InChIInChI=1S/4C9H13.2C2H6Si.2ClH.2Hf/c4*1-2-3-6-9-7-4-5-8-9;2*1-3-2;;;;/h4*4,7H,2-3,5-6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyHNOLERJJZAJVTM-UHFFFAOYSA-N
MW1031.03 g/mol
LogP13.88
Rot. Bonds12

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

tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (PubChem CID 173045400) has the molecular formula C40H66Cl2Hf2Si2 and a molecular weight of 1031.03 g/mol. Its IUPAC name is tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.

Molecular Properties

Compound Nametetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
PubChem CID173045400
Molecular FormulaC40H66Cl2Hf2Si2
Molecular Weight1031.03 g/mol
Exact Mass1032.30
IUPAC Nametetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
SMILESCCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl
InChIInChI=1S/4C9H13.2C2H6Si.2ClH.2Hf/c4*1-2-3-6-9-7-4-5-8-9;2*1-3-2;;;;/h4*4,7H,2-3,5-6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyHNOLERJJZAJVTM-UHFFFAOYSA-N
XLogP13.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.03
LogP ≤ 513.88
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 tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The IUPAC name of tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (CID 173045400) is tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.
What is the SMILES notation for tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The canonical SMILES for tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.
What is the InChIKey of tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The InChIKey is HNOLERJJZAJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H13.2C2H6Si.2ClH.2Hf/c4*1-2-3-6-9-7-4-5-8-9;2*1-3-2;;;;/h4*4,7H,2-3,5-6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride has a molecular weight of 1031.03 g/mol, XLogP of 13.88, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-butylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is sourced from PubChem (CID 173045400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).