magnesium 2-ethoxyethyl hydrogen carbonate

C5H10MgO4+2 — CID 139596426

IUPACmagnesium 2-ethoxyethyl hydrogen carbonate
SMILESCCOCCOC(=O)O.[Mg+2]
InChIInChI=1S/C5H10O4.Mg/c1-2-8-3-4-9-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+2
InChIKeyOLMCLYXTZNDBJB-UHFFFAOYSA-N
MW158.44 g/mol
LogP0.34
Rot. Bonds4

About magnesium 2-ethoxyethyl hydrogen carbonate

magnesium 2-ethoxyethyl hydrogen carbonate (PubChem CID 139596426) has the molecular formula C5H10MgO4+2 and a molecular weight of 158.44 g/mol. Its IUPAC name is magnesium 2-ethoxyethyl hydrogen carbonate.

Molecular Properties

Compound Namemagnesium 2-ethoxyethyl hydrogen carbonate
PubChem CID139596426
Molecular FormulaC5H10MgO4+2
Molecular Weight158.44 g/mol
Exact Mass158.04
IUPAC Namemagnesium 2-ethoxyethyl hydrogen carbonate
SMILESCCOCCOC(=O)O.[Mg+2]
InChIInChI=1S/C5H10O4.Mg/c1-2-8-3-4-9-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+2
InChIKeyOLMCLYXTZNDBJB-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, 2-ethoxyethyl ethyl ester
CID 53905774
2-(2-Methoxyethoxy)ethyl methyl carbonate
CID 10888474
2-Methoxyethyl hydrogen carbonate
CID 12953232
Ethane-1,2-diyl bis(hydrogen carbonate)
CID 18183683
Triethylene glycol carbonate
CID 19824913
Diethylene glycol carbonate
CID 22237732
2-Ethoxyethyl methyl carbonate
CID 85789765
2-Carboxyoxyethyl carbonate
CID 22376820
(2-Ethoxyethanolato-O1)(2-ethoxyethyl hydrogen carbonato-O')magnesium
CID 71300816
Magnesium 2-ethoxyethyl carbonate 2-ethoxyethan-1-olate (1/1/1)
CID 91996956
2-(2-Carboxyoxyethoxy)ethyl hydrogen carbonate
CID 13170400
(1-Carboxyoxy-2-ethoxyethyl) hydrogen carbonate
CID 17888172

Frequently Asked Questions

What is the IUPAC name of magnesium 2-ethoxyethyl hydrogen carbonate?
The IUPAC name of magnesium 2-ethoxyethyl hydrogen carbonate (CID 139596426) is magnesium 2-ethoxyethyl hydrogen carbonate.
What is the SMILES notation for magnesium 2-ethoxyethyl hydrogen carbonate?
The canonical SMILES for magnesium 2-ethoxyethyl hydrogen carbonate is CCOCCOC(=O)O.[Mg+2].
What is the InChIKey of magnesium 2-ethoxyethyl hydrogen carbonate?
The InChIKey is OLMCLYXTZNDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.Mg/c1-2-8-3-4-9-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+2.
What are the key properties of magnesium 2-ethoxyethyl hydrogen carbonate?
magnesium 2-ethoxyethyl hydrogen carbonate has a molecular weight of 158.44 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-ethoxyethyl hydrogen carbonate is sourced from PubChem (CID 139596426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).