4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron

C16H22FeO5Si2 — CID 134886745

IUPAC4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron
SMILESC[Si](C)(C)C1=C2CCOC2=C([Si](C)(C)C)C1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C13H22O2Si2.3CO.Fe/c1-16(2,3)12-9-7-8-15-11(9)13(10(12)14)17(4,5)6;3*1-2;/h7-8H2,1-6H3;;;;
InChIKeyASCAOJCWOUCOBB-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.18
Rot. Bonds2

About 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron

4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron (PubChem CID 134886745) has the molecular formula C16H22FeO5Si2 and a molecular weight of 406.36 g/mol. Its IUPAC name is 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron.

Molecular Properties

Compound Name4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron
PubChem CID134886745
Molecular FormulaC16H22FeO5Si2
Molecular Weight406.36 g/mol
Exact Mass406.04
IUPAC Name4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron
SMILESC[Si](C)(C)C1=C2CCOC2=C([Si](C)(C)C)C1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C13H22O2Si2.3CO.Fe/c1-16(2,3)12-9-7-8-15-11(9)13(10(12)14)17(4,5)6;3*1-2;/h7-8H2,1-6H3;;;;
InChIKeyASCAOJCWOUCOBB-UHFFFAOYSA-N
XLogP3.18
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron?
The IUPAC name of 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron (CID 134886745) is 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron.
What is the SMILES notation for 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron?
The canonical SMILES for 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron is C[Si](C)(C)C1=C2CCOC2=C([Si](C)(C)C)C1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron?
The InChIKey is ASCAOJCWOUCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si2.3CO.Fe/c1-16(2,3)12-9-7-8-15-11(9)13(10(12)14)17(4,5)6;3*1-2;/h7-8H2,1-6H3;;;;.
What are the key properties of 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron?
4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron has a molecular weight of 406.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trimethylsilyl)-2,3-dihydrocyclopenta[b]furan-5-one;carbon monoxide;iron is sourced from PubChem (CID 134886745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).