(3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane

C72H140Cl4O3Si2Zr2 — CID 162279975

About (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane

(3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 162279975) has the molecular formula C72H140Cl4O3Si2Zr2 and a molecular weight of 1434.34 g/mol. Its IUPAC name is (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

Molecular Properties

• Compound Name: (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
• PubChem CID: 162279975
• Molecular Formula: C72H140Cl4O3Si2Zr2
• Molecular Weight: 1434.34 g/mol
• Exact Mass: 1428.72
• IUPAC Name: (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
• SMILES: CC(C)(C)OCCCCC1CC([Si](C)(C)C2CC(CCCCOC(C)(C)C)C3CCCCC32)C2CCCCC12.CCCCC1CC([Si](C)(C)C2CC(CCCCOC(C)(C)C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C36H68O2Si.C32H60OSi.4CH3.4ClH.2Zr/c1-35(2,3)37-23-15-13-17-27-25-33(31-21-11-9-19-29(27)31)39(7,8)34-26-28(30-20-10-12-22-32(30)34)18-14-16-24-38-36(4,5)6;1-7-8-15-24-22-30(28-19-11-9-17-26(24)28)34(5,6)31-23-25(27-18-10-12-20-29(27)31)16-13-14-21-33-32(2,3)4;;;;;;;;;;/h27-34H,9-26H2,1-8H3;24-31H,7-23H2,1-6H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4
• InChIKey: YWXFIIFHAGCALH-UHFFFAOYSA-J
• XLogP: 25.88
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 22
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1434.34
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

The IUPAC name of (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 162279975) is (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

What is the SMILES notation for (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

The canonical SMILES for (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is CC(C)(C)OCCCCC1CC([Si](C)(C)C2CC(CCCCOC(C)(C)C)C3CCCCC32)C2CCCCC12.CCCCC1CC([Si](C)(C)C2CC(CCCCOC(C)(C)C)C3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

The InChIKey is YWXFIIFHAGCALH-UHFFFAOYSA-J. The full InChI is InChI=1S/C36H68O2Si.C32H60OSi.4CH3.4ClH.2Zr/c1-35(2,3)37-23-15-13-17-27-25-33(31-21-11-9-19-29(27)31)39(7,8)34-26-28(30-20-10-12-22-32(30)34)18-14-16-24-38-36(4,5)6;1-7-8-15-24-22-30(28-19-11-9-17-26(24)28)34(5,6)31-23-25(27-18-10-12-20-29(27)31)16-13-14-21-33-32(2,3)4;;;;;;;;;;/h27-34H,9-26H2,1-8H3;24-31H,7-23H2,1-6H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4.

What are the key properties of (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

(3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 1434.34 g/mol, XLogP of 25.88, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethyl-[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis[3-[4-[(2-methylpropan-2-yl)oxy]butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 162279975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).