2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate

C6H10O7 — CID 13170400

IUPAC2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOC(=O)O
InChIInChI=1S/C6H10O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyJJPHCFJECRBXFG-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.39
Rot. Bonds6

About 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate

2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate (PubChem CID 13170400) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
PubChem CID13170400
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOC(=O)O
InChIInChI=1S/C6H10O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyJJPHCFJECRBXFG-UHFFFAOYSA-N
XLogP0.39
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
The IUPAC name of 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate (CID 13170400) is 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
The canonical SMILES for 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate is O=C(O)OCCOCCOC(=O)O.
What is the InChIKey of 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
The InChIKey is JJPHCFJECRBXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate has a molecular weight of 194.14 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate is sourced from PubChem (CID 13170400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).