dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride

C20H34Cl2O4Si3Zr — CID 87936618

IUPACdimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
SMILESC[Si](C)(C)OCOC1=[C-]CC=C1[Si](C)(C)C1=CC[C-]=C1OCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C20H34O4Si3.2ClH.Zr/c1-25(2,3)23-15-21-17-11-9-13-19(17)27(7,8)20-14-10-12-18(20)22-16-24-26(4,5)6;;;/h13-14H,9-10,15-16H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyBLAQIMCUZWCTKM-UHFFFAOYSA-L
MW584.88 g/mol
LogP-0.54
Rot. Bonds10

About dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride

dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride (PubChem CID 87936618) has the molecular formula C20H34Cl2O4Si3Zr and a molecular weight of 584.88 g/mol. Its IUPAC name is dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride.

Molecular Properties

Compound Namedimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
PubChem CID87936618
Molecular FormulaC20H34Cl2O4Si3Zr
Molecular Weight584.88 g/mol
Exact Mass582.02
IUPAC Namedimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
SMILESC[Si](C)(C)OCOC1=[C-]CC=C1[Si](C)(C)C1=CC[C-]=C1OCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C20H34O4Si3.2ClH.Zr/c1-25(2,3)23-15-21-17-11-9-13-19(17)27(7,8)20-14-10-12-18(20)22-16-24-26(4,5)6;;;/h13-14H,9-10,15-16H2,1-8H3;2*1H;/q-2;;;+4/p-2
InChIKeyBLAQIMCUZWCTKM-UHFFFAOYSA-L
XLogP-0.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.88
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;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

Related Compounds

CID 87935785
CID 87935785
CID 87935903
CID 87935903
CID 87935960
CID 87935960
CID 87935964
CID 87935964
CID 87936033
CID 87936033
CID 87936034
CID 87936034
CID 87936037
CID 87936037
CID 87936039
CID 87936039
CID 87936179
CID 87936179
CID 87936253
CID 87936253
CID 87936533
CID 87936533
CID 87936546
CID 87936546

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride?
The IUPAC name of dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride (CID 87936618) is dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride.
What is the SMILES notation for dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride?
The canonical SMILES for dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride is C[Si](C)(C)OCOC1=[C-]CC=C1[Si](C)(C)C1=CC[C-]=C1OCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride?
The InChIKey is BLAQIMCUZWCTKM-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H34O4Si3.2ClH.Zr/c1-25(2,3)23-15-21-17-11-9-13-19(17)27(7,8)20-14-10-12-18(20)22-16-24-26(4,5)6;;;/h13-14H,9-10,15-16H2,1-8H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride?
dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride has a molecular weight of 584.88 g/mol, XLogP of -0.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[5-(trimethylsilyloxymethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride is sourced from PubChem (CID 87936618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).