carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)

C22H46SiZr — CID 140920798

IUPACcarbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)
SMILESC[C-](C1C(C)C(C)C(C)C1C)[Si](C)(C)C1CCC(C)C1.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C19H37Si.3CH3.Zr/c1-12-9-10-18(11-12)20(7,8)17(6)19-15(4)13(2)14(3)16(19)5;;;;/h12-16,18-19H,9-11H2,1-8H3;3*1H3;/q4*-1;+4
InChIKeyLLAVJQFSGHETGA-UHFFFAOYSA-N
MW429.92 g/mol
LogP7.54
Rot. Bonds3

About carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)

carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+) (PubChem CID 140920798) has the molecular formula C22H46SiZr and a molecular weight of 429.92 g/mol. Its IUPAC name is carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+).

Molecular Properties

Compound Namecarbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)
PubChem CID140920798
Molecular FormulaC22H46SiZr
Molecular Weight429.92 g/mol
Exact Mass428.24
IUPAC Namecarbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)
SMILESC[C-](C1C(C)C(C)C(C)C1C)[Si](C)(C)C1CCC(C)C1.[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C19H37Si.3CH3.Zr/c1-12-9-10-18(11-12)20(7,8)17(6)19-15(4)13(2)14(3)16(19)5;;;;/h12-16,18-19H,9-11H2,1-8H3;3*1H3;/q4*-1;+4
InChIKeyLLAVJQFSGHETGA-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.92
LogP ≤ 57.54
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'}

Analyze carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+) with MolForge

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Related Compounds

[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl-trimethylsilane
CID 15041496
CID 134903029
CID 134903029
CID 134903030
CID 134903030
CID 134903032
CID 134903032
Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
CID 134977275
[(3R,3aS,6aS)-3-methyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-trimethylsilane
CID 134979095
CID 176422605
CID 176422605
Dilithium;dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
CID 176445165
[2-(2-Bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane
CID 85207317
Dimethoxy-bis(2,3,5-triethylcyclopentyl)silane
CID 22926363
Dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
CID 23228943
Dimethoxy-bis(2,3,4-triethylcyclopentyl)silane
CID 23510578

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)?
The IUPAC name of carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+) (CID 140920798) is carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+).
What is the SMILES notation for carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)?
The canonical SMILES for carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+) is C[C-](C1C(C)C(C)C(C)C1C)[Si](C)(C)C1CCC(C)C1.[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)?
The InChIKey is LLAVJQFSGHETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37Si.3CH3.Zr/c1-12-9-10-18(11-12)20(7,8)17(6)19-15(4)13(2)14(3)16(19)5;;;;/h12-16,18-19H,9-11H2,1-8H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)?
carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+) has a molecular weight of 429.92 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+) is sourced from PubChem (CID 140920798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).