carbon monoxide;chromium;tris(prop-1-yne)

C12H12CrO3 — CID 11821199

IUPACcarbon monoxide;chromium;tris(prop-1-yne)
SMILESC#CC.C#CC.C#CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/3C3H4.3CO.Cr/c3*1-3-2;3*1-2;/h3*1H,2H3;;;;
InChIKeyJDDLDGOUZSWXNB-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.80
Rot. Bonds

About carbon monoxide;chromium;tris(prop-1-yne)

carbon monoxide;chromium;tris(prop-1-yne) (PubChem CID 11821199) has the molecular formula C12H12CrO3 and a molecular weight of 256.22 g/mol. Its IUPAC name is carbon monoxide;chromium;tris(prop-1-yne).

Molecular Properties

Compound Namecarbon monoxide;chromium;tris(prop-1-yne)
PubChem CID11821199
Molecular FormulaC12H12CrO3
Molecular Weight256.22 g/mol
Exact Mass256.02
IUPAC Namecarbon monoxide;chromium;tris(prop-1-yne)
SMILESC#CC.C#CC.C#CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/3C3H4.3CO.Cr/c3*1-3-2;3*1-2;/h3*1H,2H3;;;;
InChIKeyJDDLDGOUZSWXNB-UHFFFAOYSA-N
XLogP1.80
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

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CID 135047654
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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;tris(prop-1-yne)?
The IUPAC name of carbon monoxide;chromium;tris(prop-1-yne) (CID 11821199) is carbon monoxide;chromium;tris(prop-1-yne).
What is the SMILES notation for carbon monoxide;chromium;tris(prop-1-yne)?
The canonical SMILES for carbon monoxide;chromium;tris(prop-1-yne) is C#CC.C#CC.C#CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;tris(prop-1-yne)?
The InChIKey is JDDLDGOUZSWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H4.3CO.Cr/c3*1-3-2;3*1-2;/h3*1H,2H3;;;;.
What are the key properties of carbon monoxide;chromium;tris(prop-1-yne)?
carbon monoxide;chromium;tris(prop-1-yne) has a molecular weight of 256.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;tris(prop-1-yne) is sourced from PubChem (CID 11821199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).