bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium

C20H34HfSi2-2 — CID 154404293

IUPACbis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium
SMILESC[Si](C)(C)CC[c-]1cccc1.C[Si](C)(C)CC[c-]1cccc1.[Hf]
InChIInChI=1S/2C10H17Si.Hf/c2*1-11(2,3)9-8-10-6-4-5-7-10;/h2*4-7H,8-9H2,1-3H3;/q2*-1;
InChIKeyKQVQHVNCCLUZCP-UHFFFAOYSA-N
MW509.15 g/mol
LogP6.57
Rot. Bonds6

About bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium

bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium (PubChem CID 154404293) has the molecular formula C20H34HfSi2-2 and a molecular weight of 509.15 g/mol. Its IUPAC name is bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium.

Molecular Properties

Compound Namebis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium
PubChem CID154404293
Molecular FormulaC20H34HfSi2-2
Molecular Weight509.15 g/mol
Exact Mass510.17
IUPAC Namebis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium
SMILESC[Si](C)(C)CC[c-]1cccc1.C[Si](C)(C)CC[c-]1cccc1.[Hf]
InChIInChI=1S/2C10H17Si.Hf/c2*1-11(2,3)9-8-10-6-4-5-7-10;/h2*4-7H,8-9H2,1-3H3;/q2*-1;
InChIKeyKQVQHVNCCLUZCP-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.15
LogP ≤ 56.57
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(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium?
The IUPAC name of bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium (CID 154404293) is bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium.
What is the SMILES notation for bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium?
The canonical SMILES for bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium is C[Si](C)(C)CC[c-]1cccc1.C[Si](C)(C)CC[c-]1cccc1.[Hf].
What is the InChIKey of bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium?
The InChIKey is KQVQHVNCCLUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17Si.Hf/c2*1-11(2,3)9-8-10-6-4-5-7-10;/h2*4-7H,8-9H2,1-3H3;/q2*-1;.
What are the key properties of bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium?
bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium has a molecular weight of 509.15 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium is sourced from PubChem (CID 154404293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).