dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)

C30H40Cl2SiZr-2 — CID 173326537

IUPACdichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)
SMILESCCCc1cc(C)c2cc(C)[cH-]c2c1.CCCc1cc(C)c2cc(C)[cH-]c2c1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C14H17.C2H6Si.2ClH.Zr/c2*1-4-5-12-8-11(3)14-7-10(2)6-13(14)9-12;1-3-2;;;/h2*6-9H,4-5H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAOQVHNSWAPAXJW-UHFFFAOYSA-L
MW590.87 g/mol
LogP10.42
Rot. Bonds4

About dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)

dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide) (PubChem CID 173326537) has the molecular formula C30H40Cl2SiZr-2 and a molecular weight of 590.87 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)
PubChem CID173326537
Molecular FormulaC30H40Cl2SiZr-2
Molecular Weight590.87 g/mol
Exact Mass588.13
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)
SMILESCCCc1cc(C)c2cc(C)[cH-]c2c1.CCCc1cc(C)c2cc(C)[cH-]c2c1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C14H17.C2H6Si.2ClH.Zr/c2*1-4-5-12-8-11(3)14-7-10(2)6-13(14)9-12;1-3-2;;;/h2*6-9H,4-5H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyAOQVHNSWAPAXJW-UHFFFAOYSA-L
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.87
LogP ≤ 510.42
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'}

Analyze dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide) 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 dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide) (CID 173326537) is dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide) is CCCc1cc(C)c2cc(C)[cH-]c2c1.CCCc1cc(C)c2cc(C)[cH-]c2c1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)?
The InChIKey is AOQVHNSWAPAXJW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H17.C2H6Si.2ClH.Zr/c2*1-4-5-12-8-11(3)14-7-10(2)6-13(14)9-12;1-3-2;;;/h2*6-9H,4-5H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide) has a molecular weight of 590.87 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide) is sourced from PubChem (CID 173326537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).