bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium

C26H30Cl2SiZr — CID 173120638

IUPACbis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium
SMILESCCc1cccc2c1C(C)=C(C)C2(Cl)[SiH2]C1(Cl)C(C)=C(C)c2c(CC)cccc21.[Zr]
InChIInChI=1S/C26H30Cl2Si.Zr/c1-7-19-11-9-13-21-23(19)15(3)17(5)25(21,27)29-26(28)18(6)16(4)24-20(8-2)12-10-14-22(24)26;/h9-14H,7-8,29H2,1-6H3;
InChIKeyCTYRZACBPHCTLL-UHFFFAOYSA-N
MW532.74 g/mol
LogP7.08
Rot. Bonds4

About bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium

bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium (PubChem CID 173120638) has the molecular formula C26H30Cl2SiZr and a molecular weight of 532.74 g/mol. Its IUPAC name is bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium.

Molecular Properties

Compound Namebis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium
PubChem CID173120638
Molecular FormulaC26H30Cl2SiZr
Molecular Weight532.74 g/mol
Exact Mass530.05
IUPAC Namebis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium
SMILESCCc1cccc2c1C(C)=C(C)C2(Cl)[SiH2]C1(Cl)C(C)=C(C)c2c(CC)cccc21.[Zr]
InChIInChI=1S/C26H30Cl2Si.Zr/c1-7-19-11-9-13-21-23(19)15(3)17(5)25(21,27)29-26(28)18(6)16(4)24-20(8-2)12-10-14-22(24)26;/h9-14H,7-8,29H2,1-6H3;
InChIKeyCTYRZACBPHCTLL-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.74
LogP ≤ 57.08
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(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium?
The IUPAC name of bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium (CID 173120638) is bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium.
What is the SMILES notation for bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium?
The canonical SMILES for bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium is CCc1cccc2c1C(C)=C(C)C2(Cl)[SiH2]C1(Cl)C(C)=C(C)c2c(CC)cccc21.[Zr].
What is the InChIKey of bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium?
The InChIKey is CTYRZACBPHCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2Si.Zr/c1-7-19-11-9-13-21-23(19)15(3)17(5)25(21,27)29-26(28)18(6)16(4)24-20(8-2)12-10-14-22(24)26;/h9-14H,7-8,29H2,1-6H3;.
What are the key properties of bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium?
bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium has a molecular weight of 532.74 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-4-ethyl-2,3-dimethylinden-1-yl)silane;zirconium is sourced from PubChem (CID 173120638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).