CID 87936303

C20H37Cl2NOSi2Zr-4 — CID 87936303

IUPAC—
SMILESCC(C)(C)[NH-].Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H15OSi.C4H10N.CH3.2ClH.Si.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h1-7H;1,5-6H2,2-4H3;5H,1-3H3;1H3;2*1H;;/q4*-1;;;;
InChIKeyIXBISONFJHIORY-UHFFFAOYSA-N
MW525.82 g/mol
LogP7.37
Rot. Bonds3

About CID 87936303

CID 87936303 (PubChem CID 87936303) has the molecular formula C20H37Cl2NOSi2Zr-4 and a molecular weight of 525.82 g/mol.

Molecular Properties

Compound NameCID 87936303
PubChem CID87936303
Molecular FormulaC20H37Cl2NOSi2Zr-4
Molecular Weight525.82 g/mol
Exact Mass523.09
IUPAC Name—
SMILESCC(C)(C)[NH-].Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C6H15OSi.C4H10N.CH3.2ClH.Si.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h1-7H;1,5-6H2,2-4H3;5H,1-3H3;1H3;2*1H;;/q4*-1;;;;
InChIKeyIXBISONFJHIORY-UHFFFAOYSA-N
XLogP7.37
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.82
LogP ≤ 57.37
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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Related Compounds

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tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride
CID 87936478
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CID 173212871
CID 87205203
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CID 87936551
CID 87936551
tert-butylazanide;carbanide;dichloro(methylidene)titanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane
CID 87936465
tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane
CID 87935803
CID 87101004
CID 87101004
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
bis(1H-inden-1-ide);2-methanidylpropane;silylidenezirconium;hydrochloride
CID 172718610
CID 87993412
CID 87993412

Frequently Asked Questions

What is the IUPAC name of CID 87936303?
The IUPAC name of CID 87936303 (CID 87936303) is not available.
What is the SMILES notation for CID 87936303?
The canonical SMILES for CID 87936303 is CC(C)(C)[NH-].Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 87936303?
The InChIKey is IXBISONFJHIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C6H15OSi.C4H10N.CH3.2ClH.Si.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h1-7H;1,5-6H2,2-4H3;5H,1-3H3;1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87936303?
CID 87936303 has a molecular weight of 525.82 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87936303 is sourced from PubChem (CID 87936303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).