CID 173212461

C18H28Cl2O2Si2Zr — CID 173212461

IUPAC—
SMILESC[Si](C)CCO.Cl.Cl.O=[Zr+2].[CH3-].[SiH3].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C4H11OSi.CH3.2ClH.O.H3Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6(2)4-3-5;;;;;;/h1-5,7-8H,9H2;5H,3-4H2,1-2H3;1H3;2*1H;;1H3;/q-1;;-1;;;;;+2
InChIKeyVZIGPVATKZZFSZ-UHFFFAOYSA-N
MW494.72 g/mol
LogP3.78
Rot. Bonds2

About CID 173212461

CID 173212461 (PubChem CID 173212461) has the molecular formula C18H28Cl2O2Si2Zr and a molecular weight of 494.72 g/mol.

Molecular Properties

Compound NameCID 173212461
PubChem CID173212461
Molecular FormulaC18H28Cl2O2Si2Zr
Molecular Weight494.72 g/mol
Exact Mass492.01
IUPAC Name—
SMILESC[Si](C)CCO.Cl.Cl.O=[Zr+2].[CH3-].[SiH3].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C4H11OSi.CH3.2ClH.O.H3Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6(2)4-3-5;;;;;;/h1-5,7-8H,9H2;5H,3-4H2,1-2H3;1H3;2*1H;;1H3;/q-1;;-1;;;;;+2
InChIKeyVZIGPVATKZZFSZ-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
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1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
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butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999
CID 154493054
CID 154493054
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
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bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
CID 163641961

Frequently Asked Questions

What is the IUPAC name of CID 173212461?
The IUPAC name of CID 173212461 (CID 173212461) is not available.
What is the SMILES notation for CID 173212461?
The canonical SMILES for CID 173212461 is C[Si](C)CCO.Cl.Cl.O=[Zr+2].[CH3-].[SiH3].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173212461?
The InChIKey is VZIGPVATKZZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C4H11OSi.CH3.2ClH.O.H3Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6(2)4-3-5;;;;;;/h1-5,7-8H,9H2;5H,3-4H2,1-2H3;1H3;2*1H;;1H3;/q-1;;-1;;;;;+2.
What are the key properties of CID 173212461?
CID 173212461 has a molecular weight of 494.72 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173212461 is sourced from PubChem (CID 173212461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).