carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

C21H24CrO6 — CID 164677744

IUPACcarbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCCOC(=[Cr])C1=C(C)C2(C)C(C)=C(C)C1(C)C2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H24O.5CO.Cr/c1-8-17-9-14-12(4)15(6)10(2)11(3)16(14,7)13(15)5;5*1-2;/h13H,8H2,1-7H3;;;;;;
InChIKeyQSTKYOIDXFRERR-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.84
Rot. Bonds3

About carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (PubChem CID 164677744) has the molecular formula C21H24CrO6 and a molecular weight of 424.41 g/mol. Its IUPAC name is carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
PubChem CID164677744
Molecular FormulaC21H24CrO6
Molecular Weight424.41 g/mol
Exact Mass424.10
IUPAC Namecarbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCCOC(=[Cr])C1=C(C)C2(C)C(C)=C(C)C1(C)C2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H24O.5CO.Cr/c1-8-17-9-14-12(4)15(6)10(2)11(3)16(14,7)13(15)5;5*1-2;/h13H,8H2,1-7H3;;;;;;
InChIKeyQSTKYOIDXFRERR-UHFFFAOYSA-N
XLogP3.84
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.84
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The IUPAC name of carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (CID 164677744) is carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.
What is the SMILES notation for carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The canonical SMILES for carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is CCOC(=[Cr])C1=C(C)C2(C)C(C)=C(C)C1(C)C2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The InChIKey is QSTKYOIDXFRERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.5CO.Cr/c1-8-17-9-14-12(4)15(6)10(2)11(3)16(14,7)13(15)5;5*1-2;/h13H,8H2,1-7H3;;;;;;.
What are the key properties of carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium has a molecular weight of 424.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[ethoxy-(1,3,4,5,6,7-hexamethyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is sourced from PubChem (CID 164677744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).