2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride

C20H32Cl2OSiZr — CID 87936629

IUPAC2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[Si](C)(C)OCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17OSi.C10H15.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-7-6-10(4,5)9(3)8(7)2;;;/h4,6H,5,8-9H2,1-3H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeySMBYLICERGVKRR-UHFFFAOYSA-L
MW478.69 g/mol
LogP0.04
Rot. Bonds4

About 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride

2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 87936629) has the molecular formula C20H32Cl2OSiZr and a molecular weight of 478.69 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID87936629
Molecular FormulaC20H32Cl2OSiZr
Molecular Weight478.69 g/mol
Exact Mass476.06
IUPAC Name2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.C[Si](C)(C)OCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C10H17OSi.C10H15.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-7-6-10(4,5)9(3)8(7)2;;;/h4,6H,5,8-9H2,1-3H3;1-5H3;2*1H;/q2*-1;;;+4/p-2
InChIKeySMBYLICERGVKRR-UHFFFAOYSA-L
XLogP0.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.69
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 87936629) is 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride is CC1=[C-]C(C)(C)C(C)=C1C.C[Si](C)(C)OCCC1=[C-]CC=C1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is SMBYLICERGVKRR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17OSi.C10H15.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-7-6-10(4,5)9(3)8(7)2;;;/h4,6H,5,8-9H2,1-3H3;1-5H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 478.69 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 87936629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).