bis(2,4,6-trimethylphenyl)mercury

C18H22Hg — CID 4054240

IUPACbis(2,4,6-trimethylphenyl)mercury
SMILESCc1cc(C)c([Hg]c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/2C9H11.Hg/c2*1-7-4-8(2)6-9(3)5-7;/h2*4-5H,1-3H3;
InChIKeyPCCZBLRWVAPBFR-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.57
Rot. Bonds2

About bis(2,4,6-trimethylphenyl)mercury

bis(2,4,6-trimethylphenyl)mercury (PubChem CID 4054240) has the molecular formula C18H22Hg and a molecular weight of 438.96 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)mercury.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)mercury
PubChem CID4054240
Molecular FormulaC18H22Hg
Molecular Weight438.96 g/mol
Exact Mass440.14
IUPAC Namebis(2,4,6-trimethylphenyl)mercury
SMILESCc1cc(C)c([Hg]c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/2C9H11.Hg/c2*1-7-4-8(2)6-9(3)5-7;/h2*4-5H,1-3H3;
InChIKeyPCCZBLRWVAPBFR-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.57
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 bis(2,4,6-trimethylphenyl)mercury?
The IUPAC name of bis(2,4,6-trimethylphenyl)mercury (CID 4054240) is bis(2,4,6-trimethylphenyl)mercury.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)mercury?
The canonical SMILES for bis(2,4,6-trimethylphenyl)mercury is Cc1cc(C)c([Hg]c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)mercury?
The InChIKey is PCCZBLRWVAPBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.Hg/c2*1-7-4-8(2)6-9(3)5-7;/h2*4-5H,1-3H3;.
What are the key properties of bis(2,4,6-trimethylphenyl)mercury?
bis(2,4,6-trimethylphenyl)mercury has a molecular weight of 438.96 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)mercury is sourced from PubChem (CID 4054240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).