hexane;oxomercury

C6H14HgO — CID 174814256

IUPAChexane;oxomercury
SMILESCCCCCC.O=[Hg]
InChIInChI=1S/C6H14.Hg.O/c1-3-5-6-4-2;;/h3-6H2,1-2H3;;
InChIKeyYKXIUKLOSCEZOJ-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.47
Rot. Bonds3

About hexane;oxomercury

hexane;oxomercury (PubChem CID 174814256) has the molecular formula C6H14HgO and a molecular weight of 302.77 g/mol. Its IUPAC name is hexane;oxomercury.

Molecular Properties

Compound Namehexane;oxomercury
PubChem CID174814256
Molecular FormulaC6H14HgO
Molecular Weight302.77 g/mol
Exact Mass304.08
IUPAC Namehexane;oxomercury
SMILESCCCCCC.O=[Hg]
InChIInChI=1S/C6H14.Hg.O/c1-3-5-6-4-2;;/h3-6H2,1-2H3;;
InChIKeyYKXIUKLOSCEZOJ-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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dooctacontane
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hexane;molybdenum
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hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
hexane;tetrahydrochloride
CID 18520801
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of hexane;oxomercury?
The IUPAC name of hexane;oxomercury (CID 174814256) is hexane;oxomercury.
What is the SMILES notation for hexane;oxomercury?
The canonical SMILES for hexane;oxomercury is CCCCCC.O=[Hg].
What is the InChIKey of hexane;oxomercury?
The InChIKey is YKXIUKLOSCEZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.Hg.O/c1-3-5-6-4-2;;/h3-6H2,1-2H3;;.
What are the key properties of hexane;oxomercury?
hexane;oxomercury has a molecular weight of 302.77 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;oxomercury is sourced from PubChem (CID 174814256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).