dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride

C21H21ClSiZr-2 — CID 18786229

IUPACdimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride
SMILESC1=CC([CH-]C2C=Cc3ccccc32)c2ccccc21.C[Si](C)=[Zr].[Cl-]
InChIInChI=1S/C19H15.C2H6Si.ClH.Zr/c1-3-7-18-14(5-1)9-11-16(18)13-17-12-10-15-6-2-4-8-19(15)17;1-3-2;;/h1-13,16-17H;1-2H3;1H;/q-1;;;/p-1
InChIKeyHMMDSAGJUIJZLU-UHFFFAOYSA-M
MW428.16 g/mol
LogP2.60
Rot. Bonds2

About dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride

dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride (PubChem CID 18786229) has the molecular formula C21H21ClSiZr-2 and a molecular weight of 428.16 g/mol. Its IUPAC name is dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride
PubChem CID18786229
Molecular FormulaC21H21ClSiZr-2
Molecular Weight428.16 g/mol
Exact Mass426.02
IUPAC Namedimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride
SMILESC1=CC([CH-]C2C=Cc3ccccc32)c2ccccc21.C[Si](C)=[Zr].[Cl-]
InChIInChI=1S/C19H15.C2H6Si.ClH.Zr/c1-3-7-18-14(5-1)9-11-16(18)13-17-12-10-15-6-2-4-8-19(15)17;1-3-2;;/h1-13,16-17H;1-2H3;1H;/q-1;;;/p-1
InChIKeyHMMDSAGJUIJZLU-UHFFFAOYSA-M
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.16
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
The IUPAC name of dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride (CID 18786229) is dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride.
What is the SMILES notation for dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
The canonical SMILES for dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride is C1=CC([CH-]C2C=Cc3ccccc32)c2ccccc21.C[Si](C)=[Zr].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
The InChIKey is HMMDSAGJUIJZLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15.C2H6Si.ClH.Zr/c1-3-7-18-14(5-1)9-11-16(18)13-17-12-10-15-6-2-4-8-19(15)17;1-3-2;;/h1-13,16-17H;1-2H3;1H;/q-1;;;/p-1.
What are the key properties of dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride?
dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride has a molecular weight of 428.16 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium;1-(1H-inden-1-ylmethyl)-1H-indene;chloride is sourced from PubChem (CID 18786229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).