Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-

C12H20FeO2Si2+4 — CID 11986386

IUPAC—
SMILESC[Si](C)[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[Fe+5].c1cc[cH-]c1
InChIInChI=1S/C5H15Si2.C5H5.2CO.Fe/c1-6(2)7(3,4)5;1-2-4-5-3-1;2*1-2;/h1-5H3;1-5H;;;/q;-1;;;+5
InChIKeyDJYPFLAASFEMBS-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.49
Rot. Bonds1

About Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-

Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)- (PubChem CID 11986386) has the molecular formula C12H20FeO2Si2+4 and a molecular weight of 308.31 g/mol.

Molecular Properties

Compound NameIron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-
PubChem CID11986386
Molecular FormulaC12H20FeO2Si2+4
Molecular Weight308.31 g/mol
Exact Mass308.03
IUPAC Name—
SMILESC[Si](C)[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[Fe+5].c1cc[cH-]c1
InChIInChI=1S/C5H15Si2.C5H5.2CO.Fe/c1-6(2)7(3,4)5;1-2-4-5-3-1;2*1-2;/h1-5H3;1-5H;;;/q;-1;;;+5
InChIKeyDJYPFLAASFEMBS-UHFFFAOYSA-N
XLogP3.49
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-?
The IUPAC name of Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)- (CID 11986386) is not available.
What is the SMILES notation for Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-?
The canonical SMILES for Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)- is C[Si](C)[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[Fe+5].c1cc[cH-]c1.
What is the InChIKey of Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-?
The InChIKey is DJYPFLAASFEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15Si2.C5H5.2CO.Fe/c1-6(2)7(3,4)5;1-2-4-5-3-1;2*1-2;/h1-5H3;1-5H;;;/q;-1;;;+5.
What are the key properties of Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)-?
Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)- has a molecular weight of 308.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Iron, dicarbonyl(eta5-2,4-cyclopentadien-1-yl)(pentamethyldisilanyl)- is sourced from PubChem (CID 11986386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).