CID 90272106

C19H28Cl2Si2Zr-4 — CID 90272106

IUPAC—
SMILESC[Si](C)(C)C1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H13Si.2CH3.2ClH.Si.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;;;;;;/h1-7H;6-7H,4H2,1-3H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyWXSUKQMQPQTBAN-UHFFFAOYSA-N
MW474.74 g/mol
LogP6.47
Rot. Bonds1

About CID 90272106

CID 90272106 (PubChem CID 90272106) has the molecular formula C19H28Cl2Si2Zr-4 and a molecular weight of 474.74 g/mol.

Molecular Properties

Compound NameCID 90272106
PubChem CID90272106
Molecular FormulaC19H28Cl2Si2Zr-4
Molecular Weight474.74 g/mol
Exact Mass472.02
IUPAC Name—
SMILESC[Si](C)(C)C1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H13Si.2CH3.2ClH.Si.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;;;;;;/h1-7H;6-7H,4H2,1-3H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyWXSUKQMQPQTBAN-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.74
LogP ≤ 56.47
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

carbanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);trihydrochloride
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carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride
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bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);zirconium(4+);dichloride
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cyclopenta-1,4-dien-1-yl(trimethyl)silane;hydride;zirconium
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1H-inden-1-ide;titanium;dihydrochloride
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cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
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CID 87108807
CID 87108807

Frequently Asked Questions

What is the IUPAC name of CID 90272106?
The IUPAC name of CID 90272106 (CID 90272106) is not available.
What is the SMILES notation for CID 90272106?
The canonical SMILES for CID 90272106 is C[Si](C)(C)C1=CC[C-]=C1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 90272106?
The InChIKey is WXSUKQMQPQTBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C8H13Si.2CH3.2ClH.Si.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-9(2,3)8-6-4-5-7-8;;;;;;/h1-7H;6-7H,4H2,1-3H3;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 90272106?
CID 90272106 has a molecular weight of 474.74 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90272106 is sourced from PubChem (CID 90272106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).