carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99

C21H33N3O6Tc — CID 10218046

IUPACcarbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99
SMILES[99Tc].[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/3C6H11NO.3CO.Tc/c3*1-6(2,8-4)5-7-3;3*1-2;/h3*5H2,1-2,4H3;;;;/i;;;;;;1+1
InChIKeyQOUCAMUIZMORBK-KTTJZPQESA-N
MW522.42 g/mol
LogP3.88
Rot. Bonds6

About carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99

carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99 (PubChem CID 10218046) has the molecular formula C21H33N3O6Tc and a molecular weight of 522.42 g/mol. Its IUPAC name is carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99.

Molecular Properties

Compound Namecarbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99
PubChem CID10218046
Molecular FormulaC21H33N3O6Tc
Molecular Weight522.42 g/mol
Exact Mass522.14
IUPAC Namecarbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99
SMILES[99Tc].[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/3C6H11NO.3CO.Tc/c3*1-6(2,8-4)5-7-3;3*1-2;/h3*5H2,1-2,4H3;;;;/i;;;;;;1+1
InChIKeyQOUCAMUIZMORBK-KTTJZPQESA-N
XLogP3.88
TPSA100.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99?
The IUPAC name of carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99 (CID 10218046) is carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99.
What is the SMILES notation for carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99?
The canonical SMILES for carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99 is [99Tc].[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99?
The InChIKey is QOUCAMUIZMORBK-KTTJZPQESA-N. The full InChI is InChI=1S/3C6H11NO.3CO.Tc/c3*1-6(2,8-4)5-7-3;3*1-2;/h3*5H2,1-2,4H3;;;;/i;;;;;;1+1.
What are the key properties of carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99?
carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99 has a molecular weight of 522.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99 is sourced from PubChem (CID 10218046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).