mercury(1+);6-methylheptanoate

C8H15HgO2 — CID 175025687

IUPACmercury(1+);6-methylheptanoate
SMILESCC(C)CCCCC(=O)[O-].[Hg+]
InChIInChI=1S/C8H16O2.Hg/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyAPQIYNUNAULMOU-UHFFFAOYSA-M
MW343.80 g/mol
LogP0.95
Rot. Bonds5

About mercury(1+);6-methylheptanoate

mercury(1+);6-methylheptanoate (PubChem CID 175025687) has the molecular formula C8H15HgO2 and a molecular weight of 343.80 g/mol. Its IUPAC name is mercury(1+);6-methylheptanoate.

Molecular Properties

Compound Namemercury(1+);6-methylheptanoate
PubChem CID175025687
Molecular FormulaC8H15HgO2
Molecular Weight343.80 g/mol
Exact Mass345.08
IUPAC Namemercury(1+);6-methylheptanoate
SMILESCC(C)CCCCC(=O)[O-].[Hg+]
InChIInChI=1S/C8H16O2.Hg/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyAPQIYNUNAULMOU-UHFFFAOYSA-M
XLogP0.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 50.95
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

6-methylheptanoate;rubidium(1+)
CID 88757744
tris(6-methylheptanoate);terbium(3+)
CID 175061376
sodium 13-methyltetradecanoate
CID 44515571
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
calcium bis(16-methylheptadecanoate)
CID 6453880
antimony(3+);decanoate;bis(6-methylheptanoate)
CID 20517200
bis(6-methylheptanoate);nickel(2+);triethylalumane
CID 175103404
sodium 5-methylhexanoate
CID 58914873
hexylazanium;16-methylheptadecanoate
CID 154824431
4,4-dimethylpentanoate;manganese(2+);6-methylheptanoate
CID 23469993
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801
2-hydroxypropyl(trimethyl)azanium;8-methylnonanoate
CID 86734985

Frequently Asked Questions

What is the IUPAC name of mercury(1+);6-methylheptanoate?
The IUPAC name of mercury(1+);6-methylheptanoate (CID 175025687) is mercury(1+);6-methylheptanoate.
What is the SMILES notation for mercury(1+);6-methylheptanoate?
The canonical SMILES for mercury(1+);6-methylheptanoate is CC(C)CCCCC(=O)[O-].[Hg+].
What is the InChIKey of mercury(1+);6-methylheptanoate?
The InChIKey is APQIYNUNAULMOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Hg/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of mercury(1+);6-methylheptanoate?
mercury(1+);6-methylheptanoate has a molecular weight of 343.80 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(1+);6-methylheptanoate is sourced from PubChem (CID 175025687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).