CID 173242746

C18H33Cl2SiZr — CID 173242746

IUPAC—
SMILESCCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.Cl.Cl.[CH3-].[CH3-].[SiH3].[Zr+4]
InChIInChI=1S/2C8H11.2CH3.2ClH.H3Si.Zr/c2*1-2-5-8-6-3-4-7-8;;;;;;/h2*3,6H,2,4-5H2,1H3;2*1H3;2*1H;1H3;/q4*-1;;;;+4
InChIKeyDRHUJYKIEXCWKP-UHFFFAOYSA-N
MW439.68 g/mol
LogP5.51
Rot. Bonds4

About CID 173242746

CID 173242746 (PubChem CID 173242746) has the molecular formula C18H33Cl2SiZr and a molecular weight of 439.68 g/mol.

Molecular Properties

Compound NameCID 173242746
PubChem CID173242746
Molecular FormulaC18H33Cl2SiZr
Molecular Weight439.68 g/mol
Exact Mass437.08
IUPAC Name—
SMILESCCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.Cl.Cl.[CH3-].[CH3-].[SiH3].[Zr+4]
InChIInChI=1S/2C8H11.2CH3.2ClH.H3Si.Zr/c2*1-2-5-8-6-3-4-7-8;;;;;;/h2*3,6H,2,4-5H2,1H3;2*1H3;2*1H;1H3;/q4*-1;;;;+4
InChIKeyDRHUJYKIEXCWKP-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.68
LogP ≤ 55.51
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

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tris(2-propylcyclopenta-1,3-diene);tris(zirconium(2+));trichloride
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CID 173063851
CID 173063851
hafnium(4+);bis(2-methylcyclopenta-1,3-diene);bis(2-propylcyclopenta-1,3-diene);zirconium(4+);tetrachloride
CID 173283679
bis(2-butylcyclopenta-1,3-diene);methylidenezirconium(2+);dihydrochloride
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bis(2-hexylcyclopenta-1,3-diene);zirconium(4+);dichloride
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2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
manganese;2-pentylcyclopenta-1,3-diene
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bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
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Frequently Asked Questions

What is the IUPAC name of CID 173242746?
The IUPAC name of CID 173242746 (CID 173242746) is not available.
What is the SMILES notation for CID 173242746?
The canonical SMILES for CID 173242746 is CCCC1=[C-]CC=C1.CCCC1=[C-]CC=C1.Cl.Cl.[CH3-].[CH3-].[SiH3].[Zr+4].
What is the InChIKey of CID 173242746?
The InChIKey is DRHUJYKIEXCWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.2CH3.2ClH.H3Si.Zr/c2*1-2-5-8-6-3-4-7-8;;;;;;/h2*3,6H,2,4-5H2,1H3;2*1H3;2*1H;1H3;/q4*-1;;;;+4.
What are the key properties of CID 173242746?
CID 173242746 has a molecular weight of 439.68 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173242746 is sourced from PubChem (CID 173242746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).