acetyloxy-(2,3,5,6-tetramethylphenyl)mercury

C12H16HgO2 — CID 16683022

IUPACacetyloxy-(2,3,5,6-tetramethylphenyl)mercury
SMILESCC(=O)O[Hg]c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C10H13.C2H4O2.Hg/c1-7-5-9(3)10(4)6-8(7)2;1-2(3)4;/h5H,1-4H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyHWRVQNMGKGGEAO-UHFFFAOYSA-M
MW392.85 g/mol
LogP2.11
Rot. Bonds2

About acetyloxy-(2,3,5,6-tetramethylphenyl)mercury

acetyloxy-(2,3,5,6-tetramethylphenyl)mercury (PubChem CID 16683022) has the molecular formula C12H16HgO2 and a molecular weight of 392.85 g/mol. Its IUPAC name is acetyloxy-(2,3,5,6-tetramethylphenyl)mercury.

Molecular Properties

Compound Nameacetyloxy-(2,3,5,6-tetramethylphenyl)mercury
PubChem CID16683022
Molecular FormulaC12H16HgO2
Molecular Weight392.85 g/mol
Exact Mass394.09
IUPAC Nameacetyloxy-(2,3,5,6-tetramethylphenyl)mercury
SMILESCC(=O)O[Hg]c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C10H13.C2H4O2.Hg/c1-7-5-9(3)10(4)6-8(7)2;1-2(3)4;/h5H,1-4H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyHWRVQNMGKGGEAO-UHFFFAOYSA-M
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 acetyloxy-(2,3,5,6-tetramethylphenyl)mercury?
The IUPAC name of acetyloxy-(2,3,5,6-tetramethylphenyl)mercury (CID 16683022) is acetyloxy-(2,3,5,6-tetramethylphenyl)mercury.
What is the SMILES notation for acetyloxy-(2,3,5,6-tetramethylphenyl)mercury?
The canonical SMILES for acetyloxy-(2,3,5,6-tetramethylphenyl)mercury is CC(=O)O[Hg]c1c(C)c(C)cc(C)c1C.
What is the InChIKey of acetyloxy-(2,3,5,6-tetramethylphenyl)mercury?
The InChIKey is HWRVQNMGKGGEAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.C2H4O2.Hg/c1-7-5-9(3)10(4)6-8(7)2;1-2(3)4;/h5H,1-4H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-(2,3,5,6-tetramethylphenyl)mercury?
acetyloxy-(2,3,5,6-tetramethylphenyl)mercury has a molecular weight of 392.85 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-(2,3,5,6-tetramethylphenyl)mercury is sourced from PubChem (CID 16683022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).