2-methoxyethyl hydrogen carbonate

C4H8O4 — CID 12953232

IUPAC2-methoxyethyl hydrogen carbonate
SMILESCOCCOC(=O)O
InChIInChI=1S/C4H8O4/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyNGUUMHKSNSFLOS-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.33
Rot. Bonds3

About 2-methoxyethyl hydrogen carbonate

2-methoxyethyl hydrogen carbonate (PubChem CID 12953232) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 2-methoxyethyl hydrogen carbonate.

Molecular Properties

Compound Name2-methoxyethyl hydrogen carbonate
PubChem CID12953232
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2-methoxyethyl hydrogen carbonate
SMILESCOCCOC(=O)O
InChIInChI=1S/C4H8O4/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyNGUUMHKSNSFLOS-UHFFFAOYSA-N
XLogP0.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.33
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl hydrogen carbonate?
The IUPAC name of 2-methoxyethyl hydrogen carbonate (CID 12953232) is 2-methoxyethyl hydrogen carbonate.
What is the SMILES notation for 2-methoxyethyl hydrogen carbonate?
The canonical SMILES for 2-methoxyethyl hydrogen carbonate is COCCOC(=O)O.
What is the InChIKey of 2-methoxyethyl hydrogen carbonate?
The InChIKey is NGUUMHKSNSFLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H,5,6).
What are the key properties of 2-methoxyethyl hydrogen carbonate?
2-methoxyethyl hydrogen carbonate has a molecular weight of 120.10 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl hydrogen carbonate is sourced from PubChem (CID 12953232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).