1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane

C8H18O2S — CID 54290232

IUPAC1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane
SMILESCCOCCSCCOCC
InChIInChI=1S/C8H18O2S/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKeyRWZKNFZVXNAVSZ-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.79
Rot. Bonds8

About 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane

1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane (PubChem CID 54290232) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane
PubChem CID54290232
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane
SMILESCCOCCSCCOCC
InChIInChI=1S/C8H18O2S/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKeyRWZKNFZVXNAVSZ-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane?
The IUPAC name of 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane (CID 54290232) is 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane.
What is the SMILES notation for 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane?
The canonical SMILES for 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane is CCOCCSCCOCC.
What is the InChIKey of 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane?
The InChIKey is RWZKNFZVXNAVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane?
1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane has a molecular weight of 178.30 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-ethoxyethylsulfanyl)ethane is sourced from PubChem (CID 54290232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).