carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

C18H20CrO6Si — CID 13379862

IUPACcarbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H20OSi.5CO.Cr/c1-5-14-9-12-10-6-7-11(8-10)13(12)15(2,3)4;5*1-2;/h6-7,10-11H,5,8H2,1-4H3;;;;;;
InChIKeyLIMGHZCZPFSGQE-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.89
Rot. Bonds4

About carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (PubChem CID 13379862) has the molecular formula C18H20CrO6Si and a molecular weight of 412.43 g/mol. Its IUPAC name is carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
PubChem CID13379862
Molecular FormulaC18H20CrO6Si
Molecular Weight412.43 g/mol
Exact Mass412.04
IUPAC Namecarbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H20OSi.5CO.Cr/c1-5-14-9-12-10-6-7-11(8-10)13(12)15(2,3)4;5*1-2;/h6-7,10-11H,5,8H2,1-4H3;;;;;;
InChIKeyLIMGHZCZPFSGQE-UHFFFAOYSA-N
XLogP2.89
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carbon monoxide;[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379858
Triethyl-[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methyl]silane
CID 14922666
triethyl-[methoxy-[(1R,4S)-3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl]methyl]silane
CID 10448835
[Methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379859
[Ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379863

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The IUPAC name of carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (CID 13379862) is carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.
What is the SMILES notation for carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The canonical SMILES for carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is CCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The InChIKey is LIMGHZCZPFSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi.5CO.Cr/c1-5-14-9-12-10-6-7-11(8-10)13(12)15(2,3)4;5*1-2;/h6-7,10-11H,5,8H2,1-4H3;;;;;;.
What are the key properties of carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium has a molecular weight of 412.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is sourced from PubChem (CID 13379862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).