1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane

C8H18O2S2 — CID 11052927

IUPAC1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane
SMILESCCOCCSSCCOCC
InChIInChI=1S/C8H18O2S2/c1-3-9-5-7-11-12-8-6-10-4-2/h3-8H2,1-2H3
InChIKeyOAVXPYJMEDMBSX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.44
Rot. Bonds9

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

1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane (PubChem CID 11052927) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane
PubChem CID11052927
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane
SMILESCCOCCSSCCOCC
InChIInChI=1S/C8H18O2S2/c1-3-9-5-7-11-12-8-6-10-4-2/h3-8H2,1-2H3
InChIKeyOAVXPYJMEDMBSX-UHFFFAOYSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane?
The IUPAC name of 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane (CID 11052927) is 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane.
What is the SMILES notation for 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane?
The canonical SMILES for 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane is CCOCCSSCCOCC.
What is the InChIKey of 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane?
The InChIKey is OAVXPYJMEDMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-3-9-5-7-11-12-8-6-10-4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane?
1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane has a molecular weight of 210.36 g/mol, XLogP of 2.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-ethoxyethyldisulfanyl)ethane is sourced from PubChem (CID 11052927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).