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

C32H50Cl2Hf2Si2 — CID 173133845

IUPACbis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
SMILESCCC1=C(CC)C[C-]=C1.CCC1=C(CC)C[C-]=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1
InChIInChI=1S/2C9H13.2C5H5.2C2H6Si.2ClH.2Hf/c2*1-3-8-6-5-7-9(8)4-2;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*6H,3-4,7H2,1-2H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeySUUKLBHSEUPXAK-UHFFFAOYSA-N
MW918.81 g/mol
LogP10.76
Rot. Bonds4

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

bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (PubChem CID 173133845) has the molecular formula C32H50Cl2Hf2Si2 and a molecular weight of 918.81 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
PubChem CID173133845
Molecular FormulaC32H50Cl2Hf2Si2
Molecular Weight918.81 g/mol
Exact Mass920.18
IUPAC Namebis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
SMILESCCC1=C(CC)C[C-]=C1.CCC1=C(CC)C[C-]=C1.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1
InChIInChI=1S/2C9H13.2C5H5.2C2H6Si.2ClH.2Hf/c2*1-3-8-6-5-7-9(8)4-2;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*6H,3-4,7H2,1-2H3;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeySUUKLBHSEUPXAK-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.81
LogP ≤ 510.76
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(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (CID 173133845) is bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is CCC1=C(CC)C[C-]=C1.CCC1=C(CC)C[C-]=C1.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(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The InChIKey is SUUKLBHSEUPXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.2C5H5.2C2H6Si.2ClH.2Hf/c2*1-3-8-6-5-7-9(8)4-2;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*6H,3-4,7H2,1-2H3;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(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
bis(cyclopenta-1,3-diene);bis(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride has a molecular weight of 918.81 g/mol, XLogP of 10.76, 4 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(1,2-diethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is sourced from PubChem (CID 173133845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).