ethane;pentane;technetium

C7H16Tc-2 — CID 59000401

IUPACethane;pentane;technetium
SMILESCC[CH-]CC.[CH2-]C.[Tc]
InChIInChI=1S/C5H11.C2H5.Tc/c1-3-5-4-2;1-2;/h5H,3-4H2,1-2H3;1H2,2H3;/q2*-1;
InChIKeyOWERVWMYWSNYGR-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.85
Rot. Bonds2

About ethane;pentane;technetium

ethane;pentane;technetium (PubChem CID 59000401) has the molecular formula C7H16Tc-2 and a molecular weight of 198.20 g/mol. Its IUPAC name is ethane;pentane;technetium.

Molecular Properties

Compound Nameethane;pentane;technetium
PubChem CID59000401
Molecular FormulaC7H16Tc-2
Molecular Weight198.20 g/mol
Exact Mass197.03
IUPAC Nameethane;pentane;technetium
SMILESCC[CH-]CC.[CH2-]C.[Tc]
InChIInChI=1S/C5H11.C2H5.Tc/c1-3-5-4-2;1-2;/h5H,3-4H2,1-2H3;1H2,2H3;/q2*-1;
InChIKeyOWERVWMYWSNYGR-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of ethane;pentane;technetium?
The IUPAC name of ethane;pentane;technetium (CID 59000401) is ethane;pentane;technetium.
What is the SMILES notation for ethane;pentane;technetium?
The canonical SMILES for ethane;pentane;technetium is CC[CH-]CC.[CH2-]C.[Tc].
What is the InChIKey of ethane;pentane;technetium?
The InChIKey is OWERVWMYWSNYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.C2H5.Tc/c1-3-5-4-2;1-2;/h5H,3-4H2,1-2H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;pentane;technetium?
ethane;pentane;technetium has a molecular weight of 198.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentane;technetium is sourced from PubChem (CID 59000401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).