2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid

C8H16O5S — CID 23452004

IUPAC2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid
SMILESCCOC(C)OC(C)SC(O)C(=O)O
InChIInChI=1S/C8H16O5S/c1-4-12-5(2)13-6(3)14-8(11)7(9)10/h5-6,8,11H,4H2,1-3H3,(H,9,10)
InChIKeyDZPBCELLFMXAKZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.87
Rot. Bonds7

About 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid

2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid (PubChem CID 23452004) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid
PubChem CID23452004
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid
SMILESCCOC(C)OC(C)SC(O)C(=O)O
InChIInChI=1S/C8H16O5S/c1-4-12-5(2)13-6(3)14-8(11)7(9)10/h5-6,8,11H,4H2,1-3H3,(H,9,10)
InChIKeyDZPBCELLFMXAKZ-UHFFFAOYSA-N
XLogP0.87
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid (CID 23452004) is 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid is CCOC(C)OC(C)SC(O)C(=O)O.
What is the InChIKey of 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid?
The InChIKey is DZPBCELLFMXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-4-12-5(2)13-6(3)14-8(11)7(9)10/h5-6,8,11H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid?
2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid has a molecular weight of 224.28 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethoxyethoxy)ethylsulfanyl]-2-hydroxyacetic acid is sourced from PubChem (CID 23452004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).