diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride

C16H22Cl2HfSi — CID 18358759

IUPACdiethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride
SMILESCC[Si](CC)(C1=[C-]CC=C1C)C1=[C-]CC=C1C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C16H22Si.2ClH.Hf/c1-5-17(6-2,15-11-7-9-13(15)3)16-12-8-10-14(16)4;;;/h9-10H,5-8H2,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyDZEXXZSAIPWHBB-UHFFFAOYSA-L
MW491.83 g/mol
LogP-1.28
Rot. Bonds4

About diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride

diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride (PubChem CID 18358759) has the molecular formula C16H22Cl2HfSi and a molecular weight of 491.83 g/mol. Its IUPAC name is diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride.

Molecular Properties

Compound Namediethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride
PubChem CID18358759
Molecular FormulaC16H22Cl2HfSi
Molecular Weight491.83 g/mol
Exact Mass492.03
IUPAC Namediethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride
SMILESCC[Si](CC)(C1=[C-]CC=C1C)C1=[C-]CC=C1C.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C16H22Si.2ClH.Hf/c1-5-17(6-2,15-11-7-9-13(15)3)16-12-8-10-14(16)4;;;/h9-10H,5-8H2,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyDZEXXZSAIPWHBB-UHFFFAOYSA-L
XLogP-1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.83
LogP ≤ 5-1.28
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 diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride?
The IUPAC name of diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride (CID 18358759) is diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride.
What is the SMILES notation for diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride?
The canonical SMILES for diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride is CC[Si](CC)(C1=[C-]CC=C1C)C1=[C-]CC=C1C.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride?
The InChIKey is DZEXXZSAIPWHBB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H22Si.2ClH.Hf/c1-5-17(6-2,15-11-7-9-13(15)3)16-12-8-10-14(16)4;;;/h9-10H,5-8H2,1-4H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride?
diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride has a molecular weight of 491.83 g/mol, XLogP of -1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(5-methylcyclopenta-1,4-dien-1-yl)silane;hafnium(4+);dichloride is sourced from PubChem (CID 18358759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).