chloromercury;1-ethoxypropane

C5H12ClHgO — CID 175272647

IUPACchloromercury;1-ethoxypropane
SMILESCCCOCC.Cl[Hg]
InChIInChI=1S/C5H12O.ClH.Hg/c1-3-5-6-4-2;;/h3-5H2,1-2H3;1H;/q;;+1/p-1
InChIKeyPQHHQYLDTBONMX-UHFFFAOYSA-M
MW324.19 g/mol
LogP2.12
Rot. Bonds3

About chloromercury;1-ethoxypropane

chloromercury;1-ethoxypropane (PubChem CID 175272647) has the molecular formula C5H12ClHgO and a molecular weight of 324.19 g/mol. Its IUPAC name is chloromercury;1-ethoxypropane.

Molecular Properties

Compound Namechloromercury;1-ethoxypropane
PubChem CID175272647
Molecular FormulaC5H12ClHgO
Molecular Weight324.19 g/mol
Exact Mass325.03
IUPAC Namechloromercury;1-ethoxypropane
SMILESCCCOCC.Cl[Hg]
InChIInChI=1S/C5H12O.ClH.Hg/c1-3-5-6-4-2;;/h3-5H2,1-2H3;1H;/q;;+1/p-1
InChIKeyPQHHQYLDTBONMX-UHFFFAOYSA-M
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.12
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

1-ethoxypropane;methane
CID 158784820
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
1,2-diethoxyethane;hydrofluoride
CID 175535770
1-ethoxypropane;pentan-1-amine
CID 174936602
2-ethoxyethanolate
CID 22392618
1,2-diethoxyethane;ethene
CID 158825770
ethane;propane;1-propoxypropane
CID 143757970
sodium;1,2-diethoxyethane;hydride
CID 174903036
ethane;1-ethoxybutane
CID 143206406
bis(2-ethoxyethanolate);iron(2+)
CID 160755483
butane;1,2-diethoxyethane;ethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethane;1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethane;1-ethoxy-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethane;hexane;octane;pentane;propane;1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane;1-(2-propoxyethoxy)propane;1-propoxypropane
CID 158094641

Frequently Asked Questions

What is the IUPAC name of chloromercury;1-ethoxypropane?
The IUPAC name of chloromercury;1-ethoxypropane (CID 175272647) is chloromercury;1-ethoxypropane.
What is the SMILES notation for chloromercury;1-ethoxypropane?
The canonical SMILES for chloromercury;1-ethoxypropane is CCCOCC.Cl[Hg].
What is the InChIKey of chloromercury;1-ethoxypropane?
The InChIKey is PQHHQYLDTBONMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12O.ClH.Hg/c1-3-5-6-4-2;;/h3-5H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of chloromercury;1-ethoxypropane?
chloromercury;1-ethoxypropane has a molecular weight of 324.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromercury;1-ethoxypropane is sourced from PubChem (CID 175272647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).