bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)

C20H25SiZr — CID 23184968

IUPACbis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)
SMILESC[Si](C)(C)[CH-]c1ccccc1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+3]
InChIInChI=1S/C10H15Si.2C5H5.Zr/c1-11(2,3)9-10-7-5-4-6-8-10;2*1-2-4-5-3-1;/h4-9H,1-3H3;2*1-3H,4H2;/q3*-1;+3
InChIKeyJQSGNJPCTZMMDQ-UHFFFAOYSA-N
MW384.73 g/mol
LogP5.73
Rot. Bonds2

About bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)

bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+) (PubChem CID 23184968) has the molecular formula C20H25SiZr and a molecular weight of 384.73 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)
PubChem CID23184968
Molecular FormulaC20H25SiZr
Molecular Weight384.73 g/mol
Exact Mass383.08
IUPAC Namebis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)
SMILESC[Si](C)(C)[CH-]c1ccccc1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+3]
InChIInChI=1S/C10H15Si.2C5H5.Zr/c1-11(2,3)9-10-7-5-4-6-8-10;2*1-2-4-5-3-1;/h4-9H,1-3H3;2*1-3H,4H2;/q3*-1;+3
InChIKeyJQSGNJPCTZMMDQ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.73
LogP ≤ 55.73
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

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)?
The IUPAC name of bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+) (CID 23184968) is bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+) is C[Si](C)(C)[CH-]c1ccccc1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Zr+3].
What is the InChIKey of bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)?
The InChIKey is JQSGNJPCTZMMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Si.2C5H5.Zr/c1-11(2,3)9-10-7-5-4-6-8-10;2*1-2-4-5-3-1;/h4-9H,1-3H3;2*1-3H,4H2;/q3*-1;+3.
What are the key properties of bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)?
bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+) has a molecular weight of 384.73 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+) is sourced from PubChem (CID 23184968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).