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

C17H26Cl2OSiZr-2 — CID 87936036

IUPACcyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCC1=CC[C-]=C1.[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C10H17OSi.C5H5.C2H4.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-2-4-5-3-1;1-2;;;/h6-7H,4,8-9H2,1-3H3;1-3H,4H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKQXXQCZSCFXNCY-UHFFFAOYSA-L
MW436.61 g/mol
LogP-1.41
Rot. Bonds4

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

cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride (PubChem CID 87936036) has the molecular formula C17H26Cl2OSiZr-2 and a molecular weight of 436.61 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride
PubChem CID87936036
Molecular FormulaC17H26Cl2OSiZr-2
Molecular Weight436.61 g/mol
Exact Mass434.02
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride
SMILESCC=[Zr+2].C[Si](C)(C)OCCC1=CC[C-]=C1.[C-]1=CC=CC1.[Cl-].[Cl-]
InChIInChI=1S/C10H17OSi.C5H5.C2H4.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-2-4-5-3-1;1-2;;;/h6-7H,4,8-9H2,1-3H3;1-3H,4H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKQXXQCZSCFXNCY-UHFFFAOYSA-L
XLogP-1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 5-1.41
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 cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);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 cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride (CID 87936036) is cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride is CC=[Zr+2].C[Si](C)(C)OCCC1=CC[C-]=C1.[C-]1=CC=CC1.[Cl-].[Cl-].
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride?
The InChIKey is KQXXQCZSCFXNCY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17OSi.C5H5.C2H4.2ClH.Zr/c1-12(2,3)11-9-8-10-6-4-5-7-10;1-2-4-5-3-1;1-2;;;/h6-7H,4,8-9H2,1-3H3;1-3H,4H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride?
cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride has a molecular weight of 436.61 g/mol, XLogP of -1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-1,4-dien-1-ylethoxy(trimethyl)silane;ethylidenezirconium(2+);dichloride is sourced from PubChem (CID 87936036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).