hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)

C36H66N6O6Tc+7 — CID 85048095

IUPAChexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)
SMILES[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[Tc+7]
InChIInChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;/q;;;;;;+7
InChIKeyZGDBEIODOXIKGQ-UHFFFAOYSA-N
MW776.96 g/mol
LogP7.98
Rot. Bonds12

About hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)

hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+) (PubChem CID 85048095) has the molecular formula C36H66N6O6Tc+7 and a molecular weight of 776.96 g/mol. Its IUPAC name is hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+).

Molecular Properties

Compound Namehexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)
PubChem CID85048095
Molecular FormulaC36H66N6O6Tc+7
Molecular Weight776.96 g/mol
Exact Mass775.41
IUPAC Namehexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)
SMILES[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[Tc+7]
InChIInChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;/q;;;;;;+7
InChIKeyZGDBEIODOXIKGQ-UHFFFAOYSA-N
XLogP7.98
TPSA81.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.96
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;tris(1-isocyano-2-methoxy-2-methylpropane);technetium-99
CID 10218046
copper;tetrakis(2-ethoxy-1-isocyano-2-methylpropane)
CID 173355267
ethane;N-(2-methoxy-2-methylpropyl)acetonitrilium
CID 144985153
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
2-[2-(2-methoxy-2-methylpropoxy)ethoxy]ethanol
CID 174420073
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 58831476
1-iodo-3-methoxy-3-methylbutane
CID 22236489
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643

Frequently Asked Questions

What is the IUPAC name of hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)?
The IUPAC name of hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+) (CID 85048095) is hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+).
What is the SMILES notation for hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)?
The canonical SMILES for hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+) is [C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[C-]#[N+]CC(C)(C)OC.[Tc+7].
What is the InChIKey of hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)?
The InChIKey is ZGDBEIODOXIKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H11NO.Tc/c6*1-6(2,8-4)5-7-3;/h6*5H2,1-2,4H3;/q;;;;;;+7.
What are the key properties of hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+)?
hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+) has a molecular weight of 776.96 g/mol, XLogP of 7.98, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-isocyano-2-methoxy-2-methylpropane);technetium(7+) is sourced from PubChem (CID 85048095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).