carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride

C24H53Cl3NSi2Ti-3 — CID 162293488

IUPACcarbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride
SMILESCN1CCC(C2CCCC2)CC1.C[Si](C)(C)C1CCC([Si](C)(C)C)C1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-]
InChIInChI=1S/C11H21N.C11H26Si2.2CH3.3ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-12(2,3)10-7-8-11(9-10)13(4,5)6;;;;;;/h10-11H,2-9H2,1H3;10-11H,7-9H2,1-6H3;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3
InChIKeyXAUDSHSVXBMDIL-UHFFFAOYSA-K
MW566.09 g/mol
LogP6.39
Rot. Bonds3

About carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride

carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride (PubChem CID 162293488) has the molecular formula C24H53Cl3NSi2Ti-3 and a molecular weight of 566.09 g/mol. Its IUPAC name is carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride.

Molecular Properties

Compound Namecarbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride
PubChem CID162293488
Molecular FormulaC24H53Cl3NSi2Ti-3
Molecular Weight566.09 g/mol
Exact Mass564.23
IUPAC Namecarbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride
SMILESCN1CCC(C2CCCC2)CC1.C[Si](C)(C)C1CCC([Si](C)(C)C)C1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-]
InChIInChI=1S/C11H21N.C11H26Si2.2CH3.3ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-12(2,3)10-7-8-11(9-10)13(4,5)6;;;;;;/h10-11H,2-9H2,1H3;10-11H,7-9H2,1-6H3;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3
InChIKeyXAUDSHSVXBMDIL-UHFFFAOYSA-K
XLogP6.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.09
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride?
The IUPAC name of carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride (CID 162293488) is carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride.
What is the SMILES notation for carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride?
The canonical SMILES for carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride is CN1CCC(C2CCCC2)CC1.C[Si](C)(C)C1CCC([Si](C)(C)C)C1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-].
What is the InChIKey of carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride?
The InChIKey is XAUDSHSVXBMDIL-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H21N.C11H26Si2.2CH3.3ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-12(2,3)10-7-8-11(9-10)13(4,5)6;;;;;;/h10-11H,2-9H2,1H3;10-11H,7-9H2,1-6H3;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3.
What are the key properties of carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride?
carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride has a molecular weight of 566.09 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;trimethyl-(3-trimethylsilylcyclopentyl)silane;chloride is sourced from PubChem (CID 162293488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).