[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride

C34H58Cl2O2Si2Zr — CID 18683641

IUPAC[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride
SMILESCCCC(C)(C)[Si](C)(C)O[C@@H]1[C-]=CC2=C1CCCC2.CCCC(C)(C)[Si](C)(C)O[C@H]1[C-]=CC2=C1CCCC2.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C17H29OSi.2ClH.Zr/c2*1-6-13-17(2,3)19(4,5)18-16-12-11-14-9-7-8-10-15(14)16;;;/h2*11,16H,6-10,13H2,1-5H3;2*1H;/q2*-1;;;+4/p-2/t2*16-;;;/m10.../s1
InChIKeyLEKNJTJIHKEHJQ-UVEUQFPUSA-L
MW717.14 g/mol
LogP4.81
Rot. Bonds10

About [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride

[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride (PubChem CID 18683641) has the molecular formula C34H58Cl2O2Si2Zr and a molecular weight of 717.14 g/mol. Its IUPAC name is [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride.

Molecular Properties

Compound Name[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride
PubChem CID18683641
Molecular FormulaC34H58Cl2O2Si2Zr
Molecular Weight717.14 g/mol
Exact Mass714.24
IUPAC Name[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride
SMILESCCCC(C)(C)[Si](C)(C)O[C@@H]1[C-]=CC2=C1CCCC2.CCCC(C)(C)[Si](C)(C)O[C@H]1[C-]=CC2=C1CCCC2.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C17H29OSi.2ClH.Zr/c2*1-6-13-17(2,3)19(4,5)18-16-12-11-14-9-7-8-10-15(14)16;;;/h2*11,16H,6-10,13H2,1-5H3;2*1H;/q2*-1;;;+4/p-2/t2*16-;;;/m10.../s1
InChIKeyLEKNJTJIHKEHJQ-UVEUQFPUSA-L
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.14
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride?
The IUPAC name of [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride (CID 18683641) is [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride.
What is the SMILES notation for [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride?
The canonical SMILES for [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride is CCCC(C)(C)[Si](C)(C)O[C@@H]1[C-]=CC2=C1CCCC2.CCCC(C)(C)[Si](C)(C)O[C@H]1[C-]=CC2=C1CCCC2.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride?
The InChIKey is LEKNJTJIHKEHJQ-UVEUQFPUSA-L. The full InChI is InChI=1S/2C17H29OSi.2ClH.Zr/c2*1-6-13-17(2,3)19(4,5)18-16-12-11-14-9-7-8-10-15(14)16;;;/h2*11,16H,6-10,13H2,1-5H3;2*1H;/q2*-1;;;+4/p-2/t2*16-;;;/m10.../s1.
What are the key properties of [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride?
[(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride has a molecular weight of 717.14 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;[(1S)-1,2,4,5,6,7-hexahydroinden-2-id-1-yl]oxy-dimethyl-(2-methylpentan-2-yl)silane;zirconium(4+);dichloride is sourced from PubChem (CID 18683641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).