bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium

C22H38SiZr-4 — CID 173323329

IUPACbis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium
SMILESCC1=[C-]CC(C(C)(C)C)=C1.CC1=[C-]CC(C(C)(C)C)=C1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C10H15.2CH3.H2Si.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;;;;/h2*7H,6H2,1-4H3;2*1H3;1H2;/q4*-1;;
InChIKeyMZKNZSMUNVNUSN-UHFFFAOYSA-N
MW421.86 g/mol
LogP6.21
Rot. Bonds

About bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium

bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium (PubChem CID 173323329) has the molecular formula C22H38SiZr-4 and a molecular weight of 421.86 g/mol. Its IUPAC name is bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium.

Molecular Properties

Compound Namebis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium
PubChem CID173323329
Molecular FormulaC22H38SiZr-4
Molecular Weight421.86 g/mol
Exact Mass420.18
IUPAC Namebis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium
SMILESCC1=[C-]CC(C(C)(C)C)=C1.CC1=[C-]CC(C(C)(C)C)=C1.[CH3-].[CH3-].[SiH2]=[Zr]
InChIInChI=1S/2C10H15.2CH3.H2Si.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;;;;/h2*7H,6H2,1-4H3;2*1H3;1H2;/q4*-1;;
InChIKeyMZKNZSMUNVNUSN-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 56.21
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(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium?
The IUPAC name of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium (CID 173323329) is bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium.
What is the SMILES notation for bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium?
The canonical SMILES for bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium is CC1=[C-]CC(C(C)(C)C)=C1.CC1=[C-]CC(C(C)(C)C)=C1.[CH3-].[CH3-].[SiH2]=[Zr].
What is the InChIKey of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium?
The InChIKey is MZKNZSMUNVNUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2CH3.H2Si.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;;;;/h2*7H,6H2,1-4H3;2*1H3;1H2;/q4*-1;;.
What are the key properties of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium?
bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium has a molecular weight of 421.86 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);carbanide;silylidenezirconium is sourced from PubChem (CID 173323329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).