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

C34H48Cl2SiZr-2 — CID 154053986

IUPACdichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)
SMILESCCCc1cc(CCC)c2cc(C)[cH-]c2c1.CCCc1cc(CCC)c2cc(C)[cH-]c2c1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C16H21.C2H6Si.2ClH.Zr/c2*1-4-6-13-10-14(7-5-2)16-9-12(3)8-15(16)11-13;1-3-2;;;/h2*8-11H,4-7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOZPDTWIFJPJSAO-UHFFFAOYSA-L
MW646.97 g/mol
LogP11.71
Rot. Bonds8

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

dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide) (PubChem CID 154053986) has the molecular formula C34H48Cl2SiZr-2 and a molecular weight of 646.97 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)
PubChem CID154053986
Molecular FormulaC34H48Cl2SiZr-2
Molecular Weight646.97 g/mol
Exact Mass644.20
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)
SMILESCCCc1cc(CCC)c2cc(C)[cH-]c2c1.CCCc1cc(CCC)c2cc(C)[cH-]c2c1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C16H21.C2H6Si.2ClH.Zr/c2*1-4-6-13-10-14(7-5-2)16-9-12(3)8-15(16)11-13;1-3-2;;;/h2*8-11H,4-7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOZPDTWIFJPJSAO-UHFFFAOYSA-L
XLogP11.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.97
LogP ≤ 511.71
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-methyl-4,6-dipropyl-1H-inden-1-ide) with MolForge

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Launch Full Analysis

Related Compounds

dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-6-propyl-1H-inden-1-ide)
CID 173326537
2,6-dimethyl-4-propyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 172812508
2-methyl-4-propyl-1H-inden-1-ide;zirconium
CID 174349249
CID 87847665
CID 87847665
dichloro(dimethylsilylidene)zirconium;bis(2,5-dimethyl-4-phenyl-1H-inden-1-ide)
CID 154439448
(2,4,6-tripropylphenyl)phosphane
CID 158148560
dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 154075918
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
CID 161230348
dichloro(dimethylsilylidene)zirconium;bis(1,2,4-triethylcyclopenta-1,3-diene)
CID 154481190
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
2-tert-butyl-1,3,5-tripropylbenzene
CID 123952647
bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)
CID 142685568

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide) (CID 154053986) is dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide) is CCCc1cc(CCC)c2cc(C)[cH-]c2c1.CCCc1cc(CCC)c2cc(C)[cH-]c2c1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)?
The InChIKey is OZPDTWIFJPJSAO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H21.C2H6Si.2ClH.Zr/c2*1-4-6-13-10-14(7-5-2)16-9-12(3)8-15(16)11-13;1-3-2;;;/h2*8-11H,4-7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2-methyl-4,6-dipropyl-1H-inden-1-ide) has a molecular weight of 646.97 g/mol, XLogP of 11.71, 8 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-methyl-4,6-dipropyl-1H-inden-1-ide) is sourced from PubChem (CID 154053986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).