2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate

C7H14O6 — CID 19824913

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOCCO
InChIInChI=1S/C7H14O6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h8H,1-6H2,(H,9,10)
InChIKeyYJEIOCBNUQFVAY-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.29
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate (PubChem CID 19824913) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate
PubChem CID19824913
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOCCO
InChIInChI=1S/C7H14O6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h8H,1-6H2,(H,9,10)
InChIKeyYJEIOCBNUQFVAY-UHFFFAOYSA-N
XLogP-0.29
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.29
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-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate (CID 19824913) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate is O=C(O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate?
The InChIKey is YJEIOCBNUQFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6/c8-1-2-11-3-4-12-5-6-13-7(9)10/h8H,1-6H2,(H,9,10).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate has a molecular weight of 194.18 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen carbonate is sourced from PubChem (CID 19824913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).