bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium

C11H11Cl3SiZr — CID 173198938

IUPACbis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium
SMILESClC[SiH](C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr]
InChIInChI=1S/C11H11Cl3Si.Zr/c12-7-15(10-5-1-3-8(10)13)11-6-2-4-9(11)14;/h1-2,5-6,15H,3-4,7H2;
InChIKeyDWIRWXXCJMGTNX-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.97
Rot. Bonds3

About bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium

bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium (PubChem CID 173198938) has the molecular formula C11H11Cl3SiZr and a molecular weight of 368.88 g/mol. Its IUPAC name is bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium.

Molecular Properties

Compound Namebis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium
PubChem CID173198938
Molecular FormulaC11H11Cl3SiZr
Molecular Weight368.88 g/mol
Exact Mass365.87
IUPAC Namebis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium
SMILESClC[SiH](C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr]
InChIInChI=1S/C11H11Cl3Si.Zr/c12-7-15(10-5-1-3-8(10)13)11-6-2-4-9(11)14;/h1-2,5-6,15H,3-4,7H2;
InChIKeyDWIRWXXCJMGTNX-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium?
The IUPAC name of bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium (CID 173198938) is bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium.
What is the SMILES notation for bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium?
The canonical SMILES for bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium is ClC[SiH](C1=C(Cl)CC=C1)C1=C(Cl)CC=C1.[Zr].
What is the InChIKey of bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium?
The InChIKey is DWIRWXXCJMGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3Si.Zr/c12-7-15(10-5-1-3-8(10)13)11-6-2-4-9(11)14;/h1-2,5-6,15H,3-4,7H2;.
What are the key properties of bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium?
bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium has a molecular weight of 368.88 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorocyclopenta-1,4-dien-1-yl)-(chloromethyl)silane;zirconium is sourced from PubChem (CID 173198938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).