dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane

C96H167Cl3Li2Si8Zr+2 — CID 162279405

About dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane

dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane (PubChem CID 162279405) has the molecular formula C96H167Cl3Li2Si8Zr+2 and a molecular weight of 1757.54 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-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane.

Molecular Properties

• Compound Name: dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane
• PubChem CID: 162279405
• Molecular Formula: C96H167Cl3Li2Si8Zr+2
• Molecular Weight: 1757.54 g/mol
• Exact Mass: 1752.96
• IUPAC Name: dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane
• SMILES: CC(C)(C)CC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3cc4c(cc32)CCC4)C=C1.CC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3CC4CCCC4CC32)C1.CC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3CC4CCCC4CC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2cc3c(cc21)CCC3.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+]
• InChI: InChI=1S/2C26H50Si2.C26H38Si2.C16H23ClSi2.2CH3.2ClH.2Li.Zr/c3*1-26(2,3)18-19-11-13-23(15-19)27(4,5)28(6,7)25-14-12-22-16-20-9-8-10-21(20)17-24(22)25;1-18(2,19(3,4)17)16-9-8-14-10-12-6-5-7-13(12)11-15(14)16;;;;;;;/h2*19-25H,8-18H2,1-7H3;11-17,23,25H,8-10,18H2,1-7H3;8-11,16H,5-7H2,1-4H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2
• InChIKey: JQMATMKYUXMFCX-UHFFFAOYSA-L
• XLogP: 26.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1757.54
LogP ≤ 5	26.35
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'}, {'alert_name': 'silicon_halogen', '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-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane?

The IUPAC name of dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane (CID 162279405) is dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane.

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-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane?

The canonical SMILES for dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane is CC(C)(C)CC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3cc4c(cc32)CCC4)C=C1.CC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3CC4CCCC4CC32)C1.CC(C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3CC4CCCC4CC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2cc3c(cc21)CCC3.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-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane?

The InChIKey is JQMATMKYUXMFCX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H50Si2.C26H38Si2.C16H23ClSi2.2CH3.2ClH.2Li.Zr/c3*1-26(2,3)18-19-11-13-23(15-19)27(4,5)28(6,7)25-14-12-22-16-20-9-8-10-21(20)17-24(22)25;1-18(2,19(3,4)17)16-9-8-14-10-12-6-5-7-13(12)11-15(14)16;;;;;;;/h2*19-25H,8-18H2,1-7H3;11-17,23,25H,8-10,18H2,1-7H3;8-11,16H,5-7H2,1-4H3;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-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane?

dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane has a molecular weight of 1757.54 g/mol, XLogP of 26.35, 14 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-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane is sourced from PubChem (CID 162279405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).