acetyloxy(naphthalen-1-yl)mercury

C12H10HgO2 — CID 135046121

IUPACacetyloxy(naphthalen-1-yl)mercury
SMILESCC(=O)O[Hg]c1cccc2ccccc12
InChIInChI=1S/C10H7.C2H4O2.Hg/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;/h1-7H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyUWAILJCDXDJZJG-UHFFFAOYSA-M
MW386.80 g/mol
LogP2.03
Rot. Bonds2

About acetyloxy(naphthalen-1-yl)mercury

acetyloxy(naphthalen-1-yl)mercury (PubChem CID 135046121) has the molecular formula C12H10HgO2 and a molecular weight of 386.80 g/mol. Its IUPAC name is acetyloxy(naphthalen-1-yl)mercury.

Molecular Properties

Compound Nameacetyloxy(naphthalen-1-yl)mercury
PubChem CID135046121
Molecular FormulaC12H10HgO2
Molecular Weight386.80 g/mol
Exact Mass388.04
IUPAC Nameacetyloxy(naphthalen-1-yl)mercury
SMILESCC(=O)O[Hg]c1cccc2ccccc12
InChIInChI=1S/C10H7.C2H4O2.Hg/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;/h1-7H;1H3,(H,3,4);/q;;+1/p-1
InChIKeyUWAILJCDXDJZJG-UHFFFAOYSA-M
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
acetyloxy(phenyl)mercury;indigane;oxotin
CID 174326371
ethyl acetate;phenanthrene
CID 160726264
2-naphthalen-1-ylethyl acetate
CID 592920
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
2-naphthalen-1-yloxyethyl acetate
CID 23049663
1-bromonaphthalene;ethyl acetate
CID 174701455
acetic acid;chrysene
CID 175201446
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
anthracen-9-ylmethyl acetate
CID 27876
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
1-naphthalen-1-ylethylidenezirconium(2+)
CID 158619381

Frequently Asked Questions

What is the IUPAC name of acetyloxy(naphthalen-1-yl)mercury?
The IUPAC name of acetyloxy(naphthalen-1-yl)mercury (CID 135046121) is acetyloxy(naphthalen-1-yl)mercury.
What is the SMILES notation for acetyloxy(naphthalen-1-yl)mercury?
The canonical SMILES for acetyloxy(naphthalen-1-yl)mercury is CC(=O)O[Hg]c1cccc2ccccc12.
What is the InChIKey of acetyloxy(naphthalen-1-yl)mercury?
The InChIKey is UWAILJCDXDJZJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7.C2H4O2.Hg/c1-2-6-10-8-4-3-7-9(10)5-1;1-2(3)4;/h1-7H;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy(naphthalen-1-yl)mercury?
acetyloxy(naphthalen-1-yl)mercury has a molecular weight of 386.80 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(naphthalen-1-yl)mercury is sourced from PubChem (CID 135046121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).