2-(2-hydroxyethoxy)ethyl hydrogen carbonate

C5H10O5 — CID 22237732

IUPAC2-(2-hydroxyethoxy)ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCO
InChIInChI=1S/C5H10O5/c6-1-2-9-3-4-10-5(7)8/h6H,1-4H2,(H,7,8)
InChIKeyCOGLLVXIBJGDLH-UHFFFAOYSA-N
MW150.13 g/mol
LogP-0.31
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethyl hydrogen carbonate

2-(2-hydroxyethoxy)ethyl hydrogen carbonate (PubChem CID 22237732) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl hydrogen carbonate
PubChem CID22237732
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name2-(2-hydroxyethoxy)ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCO
InChIInChI=1S/C5H10O5/c6-1-2-9-3-4-10-5(7)8/h6H,1-4H2,(H,7,8)
InChIKeyCOGLLVXIBJGDLH-UHFFFAOYSA-N
XLogP-0.31
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyethoxy)ethyl hydrogen carbonate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl hydrogen carbonate (CID 22237732) is 2-(2-hydroxyethoxy)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl hydrogen carbonate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl hydrogen carbonate is O=C(O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl hydrogen carbonate?
The InChIKey is COGLLVXIBJGDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-2-9-3-4-10-5(7)8/h6H,1-4H2,(H,7,8).
What are the key properties of 2-(2-hydroxyethoxy)ethyl hydrogen carbonate?
2-(2-hydroxyethoxy)ethyl hydrogen carbonate has a molecular weight of 150.13 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl hydrogen carbonate is sourced from PubChem (CID 22237732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).