2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt

C18H28Li2OSi — CID 131723811

IUPAC—
SMILESCC(CCCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.[Li].[Li]
InChIInChI=1S/C18H28OSi.2Li/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4;;/h5-8,10-13,16-17H,9,14-15H2,1-4H3;;
InChIKeyUEEZZWWWSUNPHS-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.35
Rot. Bonds7

About 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt

2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt (PubChem CID 131723811) has the molecular formula C18H28Li2OSi and a molecular weight of 302.39 g/mol.

Molecular Properties

Compound Name2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt
PubChem CID131723811
Molecular FormulaC18H28Li2OSi
Molecular Weight302.39 g/mol
Exact Mass302.22
IUPAC Name—
SMILESCC(CCCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.[Li].[Li]
InChIInChI=1S/C18H28OSi.2Li/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4;;/h5-8,10-13,16-17H,9,14-15H2,1-4H3;;
InChIKeyUEEZZWWWSUNPHS-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt?
The IUPAC name of 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt (CID 131723811) is not available.
What is the SMILES notation for 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt?
The canonical SMILES for 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt is CC(CCCO[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1.[Li].[Li].
What is the InChIKey of 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt?
The InChIKey is UEEZZWWWSUNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi.2Li/c1-18(16-10-5-6-11-16,17-12-7-8-13-17)14-9-15-19-20(2,3)4;;/h5-8,10-13,16-17H,9,14-15H2,1-4H3;;.
What are the key properties of 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt?
2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt has a molecular weight of 302.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-Bis(cyclopentadienyl)-5trimethylsiloxypentane dilithium salt is sourced from PubChem (CID 131723811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).