dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane

C115H182Cl2Li2Si4Zr+2 — CID 162289967

About dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane

dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane (PubChem CID 162289967) has the molecular formula C115H182Cl2Li2Si4Zr+2 and a molecular weight of 1853.08 g/mol. Its IUPAC name is dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane.

Molecular Properties

• Compound Name: dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane
• PubChem CID: 162289967
• Molecular Formula: C115H182Cl2Li2Si4Zr+2
• Molecular Weight: 1853.08 g/mol
• Exact Mass: 1849.21
• IUPAC Name: dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane
• SMILES: CCCC(C)C1=CC([Si](C)(C)C)c2cc3c(cc21)CCC3.CCCC(C)C1=CC([Si](C)(C)C2C=Cc3cc4c(cc32)CCC4)c2cc3c(cc21)CCC3.CCCC(C)C1CC([Si](C)(C)C2CCC3CC4CCCC4CC32)C2CC3CCCC3CC12.CCCC(C)C1CC([Si](C)(C)C2CCC3CC4CCCC4CC32)C2CC3CCCC3CC12.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+]
• InChI: InChI=1S/2C31H54Si.C31H38Si.C20H30Si.2CH3.2ClH.2Li.Zr/c3*1-5-8-20(2)26-19-31(29-18-24-12-7-11-23(24)17-28(26)29)32(3,4)30-14-13-25-15-21-9-6-10-22(21)16-27(25)30;1-6-8-14(2)17-13-20(21(3,4)5)19-12-16-10-7-9-15(16)11-18(17)19;;;;;;;/h2*20-31H,5-19H2,1-4H3;13-20,30-31H,5-12H2,1-4H3;11-14,20H,6-10H2,1-5H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2
• InChIKey: WUBHBNANRDZWRN-UHFFFAOYSA-L
• XLogP: 29.57
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1853.08
LogP ≤ 5	29.57
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 dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane?

The IUPAC name of dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane (CID 162289967) is dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane.

What is the SMILES notation for dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane?

The canonical SMILES for dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane is CCCC(C)C1=CC([Si](C)(C)C)c2cc3c(cc21)CCC3.CCCC(C)C1=CC([Si](C)(C)C2C=Cc3cc4c(cc32)CCC4)c2cc3c(cc21)CCC3.CCCC(C)C1CC([Si](C)(C)C2CCC3CC4CCCC4CC32)C2CC3CCCC3CC12.CCCC(C)C1CC([Si](C)(C)C2CCC3CC4CCCC4CC32)C2CC3CCCC3CC12.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].

What is the InChIKey of dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane?

The InChIKey is WUBHBNANRDZWRN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C31H54Si.C31H38Si.C20H30Si.2CH3.2ClH.2Li.Zr/c3*1-5-8-20(2)26-19-31(29-18-24-12-7-11-23(24)17-28(26)29)32(3,4)30-14-13-25-15-21-9-6-10-22(21)16-27(25)30;1-6-8-14(2)17-13-20(21(3,4)5)19-12-16-10-7-9-15(16)11-18(17)19;;;;;;;/h2*20-31H,5-19H2,1-4H3;13-20,30-31H,5-12H2,1-4H3;11-14,20H,6-10H2,1-5H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2.

What are the key properties of dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane?

dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane has a molecular weight of 1853.08 g/mol, XLogP of 29.57, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-dimethyl-(3-pentan-2-yl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane);carbanide;dichlorozirconium(2+);dimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)-(1,5,6,7-tetrahydro-s-indacen-1-yl)silane;trimethyl-(3-pentan-2-yl-1,5,6,7-tetrahydro-s-indacen-1-yl)silane is sourced from PubChem (CID 162289967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).