bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride

C36H58Cl2Hf2Si2 — CID 173133975

IUPACbis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride
SMILESCCC1=[C-]CC(CC)=C1CC.CCC1=[C-]CC(CC)=C1CC.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1
InChIInChI=1S/2C11H17.2C5H5.2C2H6Si.2ClH.2Hf/c2*1-4-9-7-8-10(5-2)11(9)6-3;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*4-7H2,1-3H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyPXXVRQOHBFQYDZ-UHFFFAOYSA-N
MW974.92 g/mol
LogP12.32
Rot. Bonds6

About bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride

bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 173133975) has the molecular formula C36H58Cl2Hf2Si2 and a molecular weight of 974.92 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride
PubChem CID173133975
Molecular FormulaC36H58Cl2Hf2Si2
Molecular Weight974.92 g/mol
Exact Mass976.24
IUPAC Namebis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride
SMILESCCC1=[C-]CC(CC)=C1CC.CCC1=[C-]CC(CC)=C1CC.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1
InChIInChI=1S/2C11H17.2C5H5.2C2H6Si.2ClH.2Hf/c2*1-4-9-7-8-10(5-2)11(9)6-3;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*4-7H2,1-3H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyPXXVRQOHBFQYDZ-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.92
LogP ≤ 512.32
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 bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride (CID 173133975) is bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride is CCC1=[C-]CC(CC)=C1CC.CCC1=[C-]CC(CC)=C1CC.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride?
The InChIKey is PXXVRQOHBFQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17.2C5H5.2C2H6Si.2ClH.2Hf/c2*1-4-9-7-8-10(5-2)11(9)6-3;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*4-7H2,1-3H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride?
bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 974.92 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));bis(1,2,3-triethylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 173133975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).