[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

C22H34Cl2SiZr — CID 162297833

IUPAC[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C1CCC2C=CC=CC21)[C@H]1CCC2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H28Si.2CH3.2ClH.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;;;;;/h3-10,15-20H,11-14H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2/t15?,16?,17?,18?,19-,20?;;;;;/m0...../s1
InChIKeyIHQHVVRNGUUFQY-VMNCXFNPSA-L
MW488.73 g/mol
LogP8.02
Rot. Bonds2

About [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162297833) has the molecular formula C22H34Cl2SiZr and a molecular weight of 488.73 g/mol. Its IUPAC name is [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162297833
Molecular FormulaC22H34Cl2SiZr
Molecular Weight488.73 g/mol
Exact Mass486.09
IUPAC Name[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C1CCC2C=CC=CC21)[C@H]1CCC2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H28Si.2CH3.2ClH.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;;;;;/h3-10,15-20H,11-14H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2/t15?,16?,17?,18?,19-,20?;;;;;/m0...../s1
InChIKeyIHQHVVRNGUUFQY-VMNCXFNPSA-L
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.73
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(dimethylazanide);zirconium(4+)
CID 23230084
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 164724338
[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
CID 23229521
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
lithium;carbanide;dichlorozirconium(2+);methane;bis(1-methyl-2,3,3a,7a-tetrahydro-1H-indene);bis(1,2,3,4,5-pentamethylcyclopentane);trichlorozirconium
CID 162272221
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
2,3,3a,7a-tetrahydro-1H-inden-1-yl-(5-tert-butyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 140886613
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
CID 123504348
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane;carbanide;chloro-cyclopentyl-methylboranuide;dichlorozirconium(2+);chloride
CID 162294944
1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)
CID 23229330
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608
tetrakis(2,3,3a,7a-tetrahydro-1H-indene);2,3,3a,7a-tetrahydro-1H-inden-1-yl-[2-[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]ethyl]-dimethylsilane;1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)butyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;cyclopentyl-[(E)-4-[cyclopentyl(dimethyl)silyl]but-2-enyl]-dimethylsilane;cyclopentyl-[4-[cyclopentyl(dimethyl)silyl]butyl]-dimethylsilane;octakis(dichlorozirconium(2+));tetrakis(1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene)
CID 162274170

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162297833) is [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is C[Si](C)(C1CCC2C=CC=CC21)[C@H]1CCC2C=CC=CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is IHQHVVRNGUUFQY-VMNCXFNPSA-L. The full InChI is InChI=1S/C20H28Si.2CH3.2ClH.Zr/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20;;;;;/h3-10,15-20H,11-14H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2/t15?,16?,17?,18?,19-,20?;;;;;/m0...../s1.
What are the key properties of [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 488.73 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162297833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).