decanoate;phenylmercury(1+)

C16H24HgO2 — CID 70457724

IUPACdecanoate;phenylmercury(1+)
SMILESCCCCCCCCCC(=O)[O-].[Hg+]c1ccccc1
InChIInChI=1S/C10H20O2.C6H5.Hg/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1;/h2-9H2,1H3,(H,11,12);1-5H;/q;;+1/p-1
InChIKeyKXVQQQJXIAJAGZ-UHFFFAOYSA-M
MW448.96 g/mol
LogP2.74
Rot. Bonds8

About decanoate;phenylmercury(1+)

decanoate;phenylmercury(1+) (PubChem CID 70457724) has the molecular formula C16H24HgO2 and a molecular weight of 448.96 g/mol. Its IUPAC name is decanoate;phenylmercury(1+).

Molecular Properties

Compound Namedecanoate;phenylmercury(1+)
PubChem CID70457724
Molecular FormulaC16H24HgO2
Molecular Weight448.96 g/mol
Exact Mass450.15
IUPAC Namedecanoate;phenylmercury(1+)
SMILESCCCCCCCCCC(=O)[O-].[Hg+]c1ccccc1
InChIInChI=1S/C10H20O2.C6H5.Hg/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1;/h2-9H2,1H3,(H,11,12);1-5H;/q;;+1/p-1
InChIKeyKXVQQQJXIAJAGZ-UHFFFAOYSA-M
XLogP2.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptanoate;triphenylsulfanium
CID 87067214
phenylazanium;undecanoate
CID 139301589
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
bis(4-dodecoxy-4-oxobutanoate);bis(phenylmercury(1+))
CID 22413099
hexanoate;triphenylazanium
CID 139301475
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
sodium;benzenesulfonic acid;nonanoate
CID 175280756
hexadecanoate;tetramethylazanium
CID 14251637
potassium heptadecanoate
CID 23668524
sodium pentadecanoate
CID 23663638

Frequently Asked Questions

What is the IUPAC name of decanoate;phenylmercury(1+)?
The IUPAC name of decanoate;phenylmercury(1+) (CID 70457724) is decanoate;phenylmercury(1+).
What is the SMILES notation for decanoate;phenylmercury(1+)?
The canonical SMILES for decanoate;phenylmercury(1+) is CCCCCCCCCC(=O)[O-].[Hg+]c1ccccc1.
What is the InChIKey of decanoate;phenylmercury(1+)?
The InChIKey is KXVQQQJXIAJAGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2.C6H5.Hg/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1;/h2-9H2,1H3,(H,11,12);1-5H;/q;;+1/p-1.
What are the key properties of decanoate;phenylmercury(1+)?
decanoate;phenylmercury(1+) has a molecular weight of 448.96 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanoate;phenylmercury(1+) is sourced from PubChem (CID 70457724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).