cuban-1-ylmercury

C8H7Hg — CID 70462284

IUPACcuban-1-ylmercury
SMILES[Hg]C12C3C4C5C3C1C5C42
InChIInChI=1S/C8H7.Hg/c1-2-5-3(1)7-4(1)6(2)8(5)7;/h1-7H;
InChIKeyGMXGGEWRNFUWDW-UHFFFAOYSA-N
MW303.73 g/mol
LogP1.07
Rot. Bonds

About cuban-1-ylmercury

cuban-1-ylmercury (PubChem CID 70462284) has the molecular formula C8H7Hg and a molecular weight of 303.73 g/mol. Its IUPAC name is cuban-1-ylmercury.

Molecular Properties

Compound Namecuban-1-ylmercury
PubChem CID70462284
Molecular FormulaC8H7Hg
Molecular Weight303.73 g/mol
Exact Mass305.03
IUPAC Namecuban-1-ylmercury
SMILES[Hg]C12C3C4C5C3C1C5C42
InChIInChI=1S/C8H7.Hg/c1-2-5-3(1)7-4(1)6(2)8(5)7;/h1-7H;
InChIKeyGMXGGEWRNFUWDW-UHFFFAOYSA-N
XLogP1.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cuban-1-ylmercury?
The IUPAC name of cuban-1-ylmercury (CID 70462284) is cuban-1-ylmercury.
What is the SMILES notation for cuban-1-ylmercury?
The canonical SMILES for cuban-1-ylmercury is [Hg]C12C3C4C5C3C1C5C42.
What is the InChIKey of cuban-1-ylmercury?
The InChIKey is GMXGGEWRNFUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7.Hg/c1-2-5-3(1)7-4(1)6(2)8(5)7;/h1-7H;.
What are the key properties of cuban-1-ylmercury?
cuban-1-ylmercury has a molecular weight of 303.73 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cuban-1-ylmercury is sourced from PubChem (CID 70462284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).