bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium

C19H32Cl2HfSi2-2 — CID 154409030

IUPACbis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium
SMILESCC(C)=[Hf](Cl)Cl.C[Si](C)(C)c1cc[cH-]c1.C[Si](C)(C)c1cc[cH-]c1
InChIInChI=1S/2C8H13Si.C3H6.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4-7H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyICSDLIFFTDMBNE-UHFFFAOYSA-L
MW566.03 g/mol
LogP6.03
Rot. Bonds2

About bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium

bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium (PubChem CID 154409030) has the molecular formula C19H32Cl2HfSi2-2 and a molecular weight of 566.03 g/mol. Its IUPAC name is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium.

Molecular Properties

Compound Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium
PubChem CID154409030
Molecular FormulaC19H32Cl2HfSi2-2
Molecular Weight566.03 g/mol
Exact Mass566.09
IUPAC Namebis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium
SMILESCC(C)=[Hf](Cl)Cl.C[Si](C)(C)c1cc[cH-]c1.C[Si](C)(C)c1cc[cH-]c1
InChIInChI=1S/2C8H13Si.C3H6.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4-7H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyICSDLIFFTDMBNE-UHFFFAOYSA-L
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.03
LogP ≤ 56.03
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium?
The IUPAC name of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium (CID 154409030) is bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium.
What is the SMILES notation for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium?
The canonical SMILES for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium is CC(C)=[Hf](Cl)Cl.C[Si](C)(C)c1cc[cH-]c1.C[Si](C)(C)c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium?
The InChIKey is ICSDLIFFTDMBNE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H13Si.C3H6.2ClH.Hf/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4-7H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium?
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium has a molecular weight of 566.03 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);dichloro(propan-2-ylidene)hafnium is sourced from PubChem (CID 154409030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).