(2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride

C12H15Cl3SiZr — CID 161165043

IUPAC(2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESC[SiH](C)[c-]1cccc1Cl.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C7H10ClSi.C5H5.2ClH.Zr/c1-9(2)7-5-3-4-6(7)8;1-2-4-5-3-1;;;/h3-5,9H,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyPNMWTLYTELVWGT-UHFFFAOYSA-L
MW384.92 g/mol
LogP-2.84
Rot. Bonds1

About (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride

(2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 161165043) has the molecular formula C12H15Cl3SiZr and a molecular weight of 384.92 g/mol. Its IUPAC name is (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Name(2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID161165043
Molecular FormulaC12H15Cl3SiZr
Molecular Weight384.92 g/mol
Exact Mass381.91
IUPAC Name(2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESC[SiH](C)[c-]1cccc1Cl.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C7H10ClSi.C5H5.2ClH.Zr/c1-9(2)7-5-3-4-6(7)8;1-2-4-5-3-1;;;/h3-5,9H,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyPNMWTLYTELVWGT-UHFFFAOYSA-L
XLogP-2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 5-2.84
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

cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride
CID 157111889
cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron
CID 73162912
cyclopentane;(2-dimethylsilylcyclopenta-2,4-dien-1-yl)-dimethylsilane;iron
CID 174959903
bis(cyclopenta-1,3-diene);zirconium(4+);dichloride;hydrate
CID 172805895
cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
CID 15191942
dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;1H-inden-1-ide;zirconium(4+);dichloride
CID 159229048
carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
CID 175586700
cyclopenta-1,3-diene;neodymium(3+);dichloride
CID 137481493
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium
CID 45489530
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640
cyclopenta-1,3-diene;uranium;pentachloride
CID 163599803

Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride (CID 161165043) is (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride is C[SiH](C)[c-]1cccc1Cl.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.
What is the InChIKey of (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is PNMWTLYTELVWGT-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H10ClSi.C5H5.2ClH.Zr/c1-9(2)7-5-3-4-6(7)8;1-2-4-5-3-1;;;/h3-5,9H,1-2H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride?
(2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 384.92 g/mol, XLogP of -2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclopenta-2,4-dien-1-yl)-dimethylsilane;cyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 161165043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).