(6-tert-butyl-3-iodo-2-methylphenyl)mercury

C11H14HgI — CID 59905408

IUPAC(6-tert-butyl-3-iodo-2-methylphenyl)mercury
SMILESCc1c(I)ccc(C(C)(C)C)c1[Hg]
InChIInChI=1S/C11H14I.Hg/c1-8-7-9(11(2,3)4)5-6-10(8)12;/h5-6H,1-4H3;
InChIKeyFEYPBNGZPSQLQP-UHFFFAOYSA-N
MW473.73 g/mol
LogP3.07
Rot. Bonds

About (6-tert-butyl-3-iodo-2-methylphenyl)mercury

(6-tert-butyl-3-iodo-2-methylphenyl)mercury (PubChem CID 59905408) has the molecular formula C11H14HgI and a molecular weight of 473.73 g/mol. Its IUPAC name is (6-tert-butyl-3-iodo-2-methylphenyl)mercury.

Molecular Properties

Compound Name(6-tert-butyl-3-iodo-2-methylphenyl)mercury
PubChem CID59905408
Molecular FormulaC11H14HgI
Molecular Weight473.73 g/mol
Exact Mass474.98
IUPAC Name(6-tert-butyl-3-iodo-2-methylphenyl)mercury
SMILESCc1c(I)ccc(C(C)(C)C)c1[Hg]
InChIInChI=1S/C11H14I.Hg/c1-8-7-9(11(2,3)4)5-6-10(8)12;/h5-6H,1-4H3;
InChIKeyFEYPBNGZPSQLQP-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-iodo-2-methylphenyl)mercury?
The IUPAC name of (6-tert-butyl-3-iodo-2-methylphenyl)mercury (CID 59905408) is (6-tert-butyl-3-iodo-2-methylphenyl)mercury.
What is the SMILES notation for (6-tert-butyl-3-iodo-2-methylphenyl)mercury?
The canonical SMILES for (6-tert-butyl-3-iodo-2-methylphenyl)mercury is Cc1c(I)ccc(C(C)(C)C)c1[Hg].
What is the InChIKey of (6-tert-butyl-3-iodo-2-methylphenyl)mercury?
The InChIKey is FEYPBNGZPSQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I.Hg/c1-8-7-9(11(2,3)4)5-6-10(8)12;/h5-6H,1-4H3;.
What are the key properties of (6-tert-butyl-3-iodo-2-methylphenyl)mercury?
(6-tert-butyl-3-iodo-2-methylphenyl)mercury has a molecular weight of 473.73 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-iodo-2-methylphenyl)mercury is sourced from PubChem (CID 59905408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).