[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride

C29H48Cl2O2Si2Zr — CID 18622701

About [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride

[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride (PubChem CID 18622701) has the molecular formula C29H48Cl2O2Si2Zr and a molecular weight of 647.00 g/mol. Its IUPAC name is [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride.

Molecular Properties

• Compound Name: [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride
• PubChem CID: 18622701
• Molecular Formula: C29H48Cl2O2Si2Zr
• Molecular Weight: 647.00 g/mol
• Exact Mass: 644.16
• IUPAC Name: [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride
• SMILES: C[Si](C)(C)OCCCC(CO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.[Cl-].[Cl-].[Zr+2]
• InChI: InChI=1S/C29H48O2Si2.2ClH.Zr/c1-32(2,3)30-21-11-20-29(22-31-33(4,5)6,27-18-16-23-12-7-9-14-25(23)27)28-19-17-24-13-8-10-15-26(24)28;;;/h7-10,12-15,23-28H,11,16-22H2,1-6H3;2*1H;/q;;;+2/p-2
• InChIKey: UXKSVCLLRDGFGZ-UHFFFAOYSA-L
• XLogP: 2.00
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.00
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride?

The IUPAC name of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride (CID 18622701) is [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride.

What is the SMILES notation for [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride?

The canonical SMILES for [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride is C[Si](C)(C)OCCCC(CO[Si](C)(C)C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.[Cl-].[Cl-].[Zr+2].

What is the InChIKey of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride?

The InChIKey is UXKSVCLLRDGFGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H48O2Si2.2ClH.Zr/c1-32(2,3)30-21-11-20-29(22-31-33(4,5)6,27-18-16-23-12-7-9-14-25(23)27)28-19-17-24-13-8-10-15-26(24)28;;;/h7-10,12-15,23-28H,11,16-22H2,1-6H3;2*1H;/q;;;+2/p-2.

What are the key properties of [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride?

[2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride has a molecular weight of 647.00 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-trimethylsilyloxypentoxy]-trimethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 18622701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).