hexakis(2-isocyano-2-methylpropane);technetium

C30H54N6Tc — CID 53463008

IUPAChexakis(2-isocyano-2-methylpropane);technetium
SMILES[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[Tc]
InChIInChI=1S/6C5H9N.Tc/c6*1-5(2,3)6-4;/h6*1-3H3;
InChIKeySLQCEIKRHUERSP-UHFFFAOYSA-N
MW596.80 g/mol
LogP10.22
Rot. Bonds

About hexakis(2-isocyano-2-methylpropane);technetium

hexakis(2-isocyano-2-methylpropane);technetium (PubChem CID 53463008) has the molecular formula C30H54N6Tc and a molecular weight of 596.80 g/mol. Its IUPAC name is hexakis(2-isocyano-2-methylpropane);technetium.

Molecular Properties

Compound Namehexakis(2-isocyano-2-methylpropane);technetium
PubChem CID53463008
Molecular FormulaC30H54N6Tc
Molecular Weight596.80 g/mol
Exact Mass595.35
IUPAC Namehexakis(2-isocyano-2-methylpropane);technetium
SMILES[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[Tc]
InChIInChI=1S/6C5H9N.Tc/c6*1-5(2,3)6-4;/h6*1-3H3;
InChIKeySLQCEIKRHUERSP-UHFFFAOYSA-N
XLogP10.22
TPSA26.16 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.80
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexakis(2-isocyano-2-methylpropane);tungsten
CID 58239997
dichloropalladium;bis(2-isocyano-2-methylpropane)
CID 166047730
silver;bis(2-isocyano-2-methylpropane);perchlorate
CID 71334274
acetylene;bis(2-isocyano-2-methylpropane);bis(2-methylpropane-2-thiolate);molybdenum(4+)
CID 6397604
tris(ditert-butylphosphanium);bis(2-isocyano-2-methylpropane);platinum;platinum monohydride
CID 6394321
CID 134902353
CID 134902353
1-bromo-2-isocyano-2-methylpropane
CID 140926683
2-isocyano-2,3-dimethylbutane
CID 58366654
5-isocyano-2,5-dimethylhex-2-ene
CID 59350160
4-isocyano-2,4,6-trimethylheptane
CID 58269947
2-isocyano-2-propan-2-yloxypropane
CID 22735052
2-isocyano-1,3-bis[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propane
CID 87449679

Frequently Asked Questions

What is the IUPAC name of hexakis(2-isocyano-2-methylpropane);technetium?
The IUPAC name of hexakis(2-isocyano-2-methylpropane);technetium (CID 53463008) is hexakis(2-isocyano-2-methylpropane);technetium.
What is the SMILES notation for hexakis(2-isocyano-2-methylpropane);technetium?
The canonical SMILES for hexakis(2-isocyano-2-methylpropane);technetium is [C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[Tc].
What is the InChIKey of hexakis(2-isocyano-2-methylpropane);technetium?
The InChIKey is SLQCEIKRHUERSP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H9N.Tc/c6*1-5(2,3)6-4;/h6*1-3H3;.
What are the key properties of hexakis(2-isocyano-2-methylpropane);technetium?
hexakis(2-isocyano-2-methylpropane);technetium has a molecular weight of 596.80 g/mol, XLogP of 10.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-isocyano-2-methylpropane);technetium is sourced from PubChem (CID 53463008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).