carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron

C21H28FeO8Si2 — CID 134886798

IUPACcarbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C18H28O5Si2.3CO.Fe/c1-22-16(20)18(17(21)23-2)9-11-12(10-18)15(25(6,7)8)13(19)14(11)24(3,4)5;3*1-2;/h9-10H2,1-8H3;;;;
InChIKeyQGYMEPSTVGPIRT-UHFFFAOYSA-N
MW520.46 g/mol
LogP2.93
Rot. Bonds4

About carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron

carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron (PubChem CID 134886798) has the molecular formula C21H28FeO8Si2 and a molecular weight of 520.46 g/mol. Its IUPAC name is carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron.

Molecular Properties

Compound Namecarbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron
PubChem CID134886798
Molecular FormulaC21H28FeO8Si2
Molecular Weight520.46 g/mol
Exact Mass520.07
IUPAC Namecarbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron
SMILESCOC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C18H28O5Si2.3CO.Fe/c1-22-16(20)18(17(21)23-2)9-11-12(10-18)15(25(6,7)8)13(19)14(11)24(3,4)5;3*1-2;/h9-10H2,1-8H3;;;;
InChIKeyQGYMEPSTVGPIRT-UHFFFAOYSA-N
XLogP2.93
TPSA129.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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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Related Compounds

Dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 134886799
Diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 71603292
Diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
CID 10338826

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron?
The IUPAC name of carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron (CID 134886798) is carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron.
What is the SMILES notation for carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron?
The canonical SMILES for carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron is COC(=O)C1(C(=O)OC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron?
The InChIKey is QGYMEPSTVGPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5Si2.3CO.Fe/c1-22-16(20)18(17(21)23-2)9-11-12(10-18)15(25(6,7)8)13(19)14(11)24(3,4)5;3*1-2;/h9-10H2,1-8H3;;;;.
What are the key properties of carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron?
carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron has a molecular weight of 520.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron is sourced from PubChem (CID 134886798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).