hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride

C17H38Cl3NO2SiZr — CID 162141084

IUPAChexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride
SMILESC1CCOC1.C1CCOC1.CCCCCC[N-][Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H22NSi.2C4H8O.3ClH.Zr/c1-5-6-7-8-9-10-11(2,3)4;2*1-2-4-5-3-1;;;;/h5-9H2,1-4H3;2*1-4H2;3*1H;/q-1;;;;;;+4/p-3
InChIKeyKYVFLZQSHUXYTL-UHFFFAOYSA-K
MW514.17 g/mol
LogP-3.62
Rot. Bonds6

About hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride

hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride (PubChem CID 162141084) has the molecular formula C17H38Cl3NO2SiZr and a molecular weight of 514.17 g/mol. Its IUPAC name is hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride.

Molecular Properties

Compound Namehexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride
PubChem CID162141084
Molecular FormulaC17H38Cl3NO2SiZr
Molecular Weight514.17 g/mol
Exact Mass511.08
IUPAC Namehexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride
SMILESC1CCOC1.C1CCOC1.CCCCCC[N-][Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C9H22NSi.2C4H8O.3ClH.Zr/c1-5-6-7-8-9-10-11(2,3)4;2*1-2-4-5-3-1;;;;/h5-9H2,1-4H3;2*1-4H2;3*1H;/q-1;;;;;;+4/p-3
InChIKeyKYVFLZQSHUXYTL-UHFFFAOYSA-K
XLogP-3.62
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.17
LogP ≤ 5-3.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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butylazanium;oxolane;fluoride
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Frequently Asked Questions

What is the IUPAC name of hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride?
The IUPAC name of hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride (CID 162141084) is hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride.
What is the SMILES notation for hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride?
The canonical SMILES for hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride is C1CCOC1.C1CCOC1.CCCCCC[N-][Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride?
The InChIKey is KYVFLZQSHUXYTL-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H22NSi.2C4H8O.3ClH.Zr/c1-5-6-7-8-9-10-11(2,3)4;2*1-2-4-5-3-1;;;;/h5-9H2,1-4H3;2*1-4H2;3*1H;/q-1;;;;;;+4/p-3.
What are the key properties of hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride?
hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride has a molecular weight of 514.17 g/mol, XLogP of -3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trimethylsilyl)azanide;oxolane;zirconium(4+);trichloride is sourced from PubChem (CID 162141084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).