acetic acid;diethyl hydrogen phosphite;mercury

C6H15HgO5P — CID 21535

IUPACacetic acid;diethyl hydrogen phosphite;mercury
SMILESCC(=O)O.CCOP(O)OCC.[Hg]
InChIInChI=1S/C4H11O3P.C2H4O2.Hg/c1-3-6-8(5)7-4-2;1-2(3)4;/h5H,3-4H2,1-2H3;1H3,(H,3,4);
InChIKeyHBMXBCHRTAJZIH-UHFFFAOYSA-N
MW398.75 g/mol
LogP1.37
Rot. Bonds4

About acetic acid;diethyl hydrogen phosphite;mercury

acetic acid;diethyl hydrogen phosphite;mercury (PubChem CID 21535) has the molecular formula C6H15HgO5P and a molecular weight of 398.75 g/mol. Its IUPAC name is acetic acid;diethyl hydrogen phosphite;mercury.

Molecular Properties

Compound Nameacetic acid;diethyl hydrogen phosphite;mercury
PubChem CID21535
Molecular FormulaC6H15HgO5P
Molecular Weight398.75 g/mol
Exact Mass400.04
IUPAC Nameacetic acid;diethyl hydrogen phosphite;mercury
SMILESCC(=O)O.CCOP(O)OCC.[Hg]
InChIInChI=1S/C4H11O3P.C2H4O2.Hg/c1-3-6-8(5)7-4-2;1-2(3)4;/h5H,3-4H2,1-2H3;1H3,(H,3,4);
InChIKeyHBMXBCHRTAJZIH-UHFFFAOYSA-N
XLogP1.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetic acid;diethyl hydrogen phosphite;mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromoethene;diethyl hydrogen phosphite
CID 88780762
diethyl hydrogen phosphite;toluene
CID 162138652
sodium;diethoxyphosphanyl acetate;hydride
CID 174816487
2-[ethoxy(hydroxy)phosphanyl]oxyethyl prop-2-enoate
CID 88743708
acetic acid;ruthenium
CID 175502908
sodium;acetic acid;boranuide;ethyl acetate
CID 174143954
acetic acid;azane;propane
CID 173127482
carbamic acid;dibutyl hydrogen phosphite
CID 174676710
disodium;carbon monoxide;diethoxyphosphane;diethyl hydrogen phosphite;manganese
CID 11114554
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
phosphorous acid;triethyl phosphite
CID 174300225
acetic acid;ethyl acetate;hydroiodide
CID 174390773

Frequently Asked Questions

What is the IUPAC name of acetic acid;diethyl hydrogen phosphite;mercury?
The IUPAC name of acetic acid;diethyl hydrogen phosphite;mercury (CID 21535) is acetic acid;diethyl hydrogen phosphite;mercury.
What is the SMILES notation for acetic acid;diethyl hydrogen phosphite;mercury?
The canonical SMILES for acetic acid;diethyl hydrogen phosphite;mercury is CC(=O)O.CCOP(O)OCC.[Hg].
What is the InChIKey of acetic acid;diethyl hydrogen phosphite;mercury?
The InChIKey is HBMXBCHRTAJZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.C2H4O2.Hg/c1-3-6-8(5)7-4-2;1-2(3)4;/h5H,3-4H2,1-2H3;1H3,(H,3,4);.
What are the key properties of acetic acid;diethyl hydrogen phosphite;mercury?
acetic acid;diethyl hydrogen phosphite;mercury has a molecular weight of 398.75 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;diethyl hydrogen phosphite;mercury is sourced from PubChem (CID 21535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).