bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride

C18H32Cl2N2Si2Zr — CID 87840544

IUPACbis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride
SMILESCN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C9H16NSi.2ClH.Zr/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyDYWWMJQTEYTGGA-UHFFFAOYSA-L
MW494.77 g/mol
LogP-2.03
Rot. Bonds4

About bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride (PubChem CID 87840544) has the molecular formula C18H32Cl2N2Si2Zr and a molecular weight of 494.77 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride
PubChem CID87840544
Molecular FormulaC18H32Cl2N2Si2Zr
Molecular Weight494.77 g/mol
Exact Mass492.05
IUPAC Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride
SMILESCN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C9H16NSi.2ClH.Zr/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyDYWWMJQTEYTGGA-UHFFFAOYSA-L
XLogP-2.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.77
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride?
The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride (CID 87840544) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride.
What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride?
The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride is CN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride?
The InChIKey is DYWWMJQTEYTGGA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H16NSi.2ClH.Zr/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride?
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride has a molecular weight of 494.77 g/mol, XLogP of -2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(4+);dichloride is sourced from PubChem (CID 87840544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).