bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride

C20H36Cl2GeZr-4 — CID 173283747

IUPACbis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride
SMILESCC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[GeH2]=[Zr]
InChIInChI=1S/2C9H13.2CH3.2ClH.GeH2.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;;;;/h2*6-7H,4H2,1-3H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyXHUGTUUMXXMVSL-UHFFFAOYSA-N
MW511.25 g/mol
LogP6.27
Rot. Bonds

About bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride

bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride (PubChem CID 173283747) has the molecular formula C20H36Cl2GeZr-4 and a molecular weight of 511.25 g/mol. Its IUPAC name is bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride
PubChem CID173283747
Molecular FormulaC20H36Cl2GeZr-4
Molecular Weight511.25 g/mol
Exact Mass510.05
IUPAC Namebis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride
SMILESCC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[GeH2]=[Zr]
InChIInChI=1S/2C9H13.2CH3.2ClH.GeH2.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;;;;/h2*6-7H,4H2,1-3H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyXHUGTUUMXXMVSL-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.25
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride?
The IUPAC name of bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride (CID 173283747) is bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride.
What is the SMILES notation for bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride?
The canonical SMILES for bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride is CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[GeH2]=[Zr].
What is the InChIKey of bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride?
The InChIKey is XHUGTUUMXXMVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.2CH3.2ClH.GeH2.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;;;;/h2*6-7H,4H2,1-3H3;2*1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride?
bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride has a molecular weight of 511.25 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylcyclopenta-1,3-diene);carbanide;germylidenezirconium;dihydrochloride is sourced from PubChem (CID 173283747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).