carbon monoxide;1-methoxybut-2-ynylidenechromium

C10H6CrO6 — CID 13379856

IUPACcarbon monoxide;1-methoxybut-2-ynylidenechromium
SMILESCC#CC(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C5H6O.5CO.Cr/c1-3-4-5-6-2;5*1-2;/h1-2H3;;;;;;
InChIKeyIDZBUQDMVSJLPY-UHFFFAOYSA-N
MW274.15 g/mol
LogP0.15
Rot. Bonds1

About carbon monoxide;1-methoxybut-2-ynylidenechromium

carbon monoxide;1-methoxybut-2-ynylidenechromium (PubChem CID 13379856) has the molecular formula C10H6CrO6 and a molecular weight of 274.15 g/mol. Its IUPAC name is carbon monoxide;1-methoxybut-2-ynylidenechromium.

Molecular Properties

Compound Namecarbon monoxide;1-methoxybut-2-ynylidenechromium
PubChem CID13379856
Molecular FormulaC10H6CrO6
Molecular Weight274.15 g/mol
Exact Mass273.96
IUPAC Namecarbon monoxide;1-methoxybut-2-ynylidenechromium
SMILESCC#CC(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C5H6O.5CO.Cr/c1-3-4-5-6-2;5*1-2;/h1-2H3;;;;;;
InChIKeyIDZBUQDMVSJLPY-UHFFFAOYSA-N
XLogP0.15
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 50.15
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-methoxybut-2-ynylidenechromium?
The IUPAC name of carbon monoxide;1-methoxybut-2-ynylidenechromium (CID 13379856) is carbon monoxide;1-methoxybut-2-ynylidenechromium.
What is the SMILES notation for carbon monoxide;1-methoxybut-2-ynylidenechromium?
The canonical SMILES for carbon monoxide;1-methoxybut-2-ynylidenechromium is CC#CC(=[Cr])OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;1-methoxybut-2-ynylidenechromium?
The InChIKey is IDZBUQDMVSJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.5CO.Cr/c1-3-4-5-6-2;5*1-2;/h1-2H3;;;;;;.
What are the key properties of carbon monoxide;1-methoxybut-2-ynylidenechromium?
carbon monoxide;1-methoxybut-2-ynylidenechromium has a molecular weight of 274.15 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-methoxybut-2-ynylidenechromium is sourced from PubChem (CID 13379856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).