(3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)

C38H62Si2Zr — CID 162298123

About (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)

(3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+) (PubChem CID 162298123) has the molecular formula C38H62Si2Zr and a molecular weight of 666.31 g/mol. Its IUPAC name is (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+).

Molecular Properties

• Compound Name: (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)
• PubChem CID: 162298123
• Molecular Formula: C38H62Si2Zr
• Molecular Weight: 666.31 g/mol
• Exact Mass: 664.34
• IUPAC Name: (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)
• SMILES: CCCCC1CCC([SiH](c2ccccc2)[SiH](c2ccccc2)C2CCC3C(C)C4CCCC4CC32)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
• InChI: InChI=1S/C34H50Si2.4CH3.Zr/c1-3-4-12-26-19-20-30(23-26)35(28-14-7-5-8-15-28)36(29-16-9-6-10-17-29)34-22-21-32-25(2)31-18-11-13-27(31)24-33(32)34;;;;;/h5-10,14-17,25-27,30-36H,3-4,11-13,18-24H2,1-2H3;4*1H3;/q;4*-1;+4
• InChIKey: HYCLWCPPEFLDHP-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.31
LogP ≤ 5	9.35
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'}

Frequently Asked Questions

What is the IUPAC name of (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)?

The IUPAC name of (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+) (CID 162298123) is (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+).

What is the SMILES notation for (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)?

The canonical SMILES for (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+) is CCCCC1CCC([SiH](c2ccccc2)[SiH](c2ccccc2)C2CCC3C(C)C4CCCC4CC32)C1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].

What is the InChIKey of (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)?

The InChIKey is HYCLWCPPEFLDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50Si2.4CH3.Zr/c1-3-4-12-26-19-20-30(23-26)35(28-14-7-5-8-15-28)36(29-16-9-6-10-17-29)34-22-21-32-25(2)31-18-11-13-27(31)24-33(32)34;;;;;/h5-10,14-17,25-27,30-36H,3-4,11-13,18-24H2,1-2H3;4*1H3;/q;4*-1;+4.

What are the key properties of (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+)?

(3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+) has a molecular weight of 666.31 g/mol, XLogP of 9.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3-butylcyclopentyl)-[(4-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-phenylsilyl]-phenylsilane;carbanide;zirconium(4+) is sourced from PubChem (CID 162298123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).