About carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride
carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride (PubChem CID 173299524) has the molecular formula C20H36Cl2SiTi-4
and a molecular weight of 423.37 g/mol. Its IUPAC name is carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride.
Molecular Properties
| Compound Name | carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride |
|---|
| PubChem CID | 173299524 |
|---|
| Molecular Formula | C20H36Cl2SiTi-4 |
|---|
| Molecular Weight | 423.37 g/mol |
|---|
| Exact Mass | 422.15 |
|---|
| IUPAC Name | carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride |
|---|
| SMILES | CCCC1=CC(C)=[C-]C1.CCCC1=CC(C)=[C-]C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Ti] |
|---|
| InChI | InChI=1S/2C9H13.2CH3.2ClH.H2Si.Ti/c2*1-3-4-9-6-5-8(2)7-9;;;;;;/h2*7H,3-4,6H2,1-2H3;2*1H3;2*1H;1H2;/q4*-1;;;; |
|---|
| InChIKey | AKKHXAPCBCGVAP-UHFFFAOYSA-N |
|---|
| XLogP | 6.56 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 24 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 423.37 |
| LogP ≤ 5 | 6.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;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 carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride?
The IUPAC name of carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride (CID 173299524) is carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride.
What is the SMILES notation for carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride?
The canonical SMILES for carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride is CCCC1=CC(C)=[C-]C1.CCCC1=CC(C)=[C-]C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Ti].
What is the InChIKey of carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride?
The InChIKey is AKKHXAPCBCGVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.2CH3.2ClH.H2Si.Ti/c2*1-3-4-9-6-5-8(2)7-9;;;;;;/h2*7H,3-4,6H2,1-2H3;2*1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride?
carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride has a molecular weight of 423.37 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(3-methyl-1-propylcyclopenta-1,3-diene);silylidenetitanium;dihydrochloride is sourced from PubChem (CID 173299524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).