trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride

C26H29Cl2O2SiZr — CID 87936351

IUPACtrimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
SMILESCC(C)=c1ccc2c(c1C1=CC(OCCO[Si](C)(C)C)=CC1)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C26H29O2Si.2ClH.Zr/c1-18(2)22-12-13-24-23-9-7-6-8-19(23)17-25(24)26(22)20-10-11-21(16-20)27-14-15-28-29(3,4)5;;;/h6-9,11-13,16H,10,14-15H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeySVXPDTSSPQEKAC-UHFFFAOYSA-L
MW563.73 g/mol
LogP-1.27
Rot. Bonds6

About trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride

trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride (PubChem CID 87936351) has the molecular formula C26H29Cl2O2SiZr and a molecular weight of 563.73 g/mol. Its IUPAC name is trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride.

Molecular Properties

Compound Nametrimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
PubChem CID87936351
Molecular FormulaC26H29Cl2O2SiZr
Molecular Weight563.73 g/mol
Exact Mass561.04
IUPAC Nametrimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride
SMILESCC(C)=c1ccc2c(c1C1=CC(OCCO[Si](C)(C)C)=CC1)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C26H29O2Si.2ClH.Zr/c1-18(2)22-12-13-24-23-9-7-6-8-19(23)17-25(24)26(22)20-10-11-21(16-20)27-14-15-28-29(3,4)5;;;/h6-9,11-13,16H,10,14-15H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeySVXPDTSSPQEKAC-UHFFFAOYSA-L
XLogP-1.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.73
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);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 87936090
CID 87936090
CID 87936103
CID 87936103
CID 87936189
CID 87936189
CID 87936259
CID 87936259
CID 87936346
CID 87936346
CID 87936493
CID 87936493
CID 87936500
CID 87936500
CID 87936599
CID 87936599
CID 87936700
CID 87936700
CID 87936756
CID 87936756
CID 87936765
CID 87936765
CID 87936775
CID 87936775

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride?
The IUPAC name of trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride (CID 87936351) is trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride.
What is the SMILES notation for trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride?
The canonical SMILES for trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride is CC(C)=c1ccc2c(c1C1=CC(OCCO[Si](C)(C)C)=CC1)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride?
The InChIKey is SVXPDTSSPQEKAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H29O2Si.2ClH.Zr/c1-18(2)22-12-13-24-23-9-7-6-8-19(23)17-25(24)26(22)20-10-11-21(16-20)27-14-15-28-29(3,4)5;;;/h6-9,11-13,16H,10,14-15H2,1-5H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride?
trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride has a molecular weight of 563.73 g/mol, XLogP of -1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(2-propan-2-ylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]oxyethoxy]silane;zirconium(3+);dichloride is sourced from PubChem (CID 87936351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).