1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane

C9H20O3S — CID 87182999

IUPAC1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane
SMILESCCOC(COCCSCC)OC
InChIInChI=1S/C9H20O3S/c1-4-12-9(10-3)8-11-6-7-13-5-2/h9H,4-8H2,1-3H3
InChIKeyRGAQYYWWFGSGTE-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.77
Rot. Bonds9

About 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane

1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane (PubChem CID 87182999) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane.

Molecular Properties

Compound Name1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane
PubChem CID87182999
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane
SMILESCCOC(COCCSCC)OC
InChIInChI=1S/C9H20O3S/c1-4-12-9(10-3)8-11-6-7-13-5-2/h9H,4-8H2,1-3H3
InChIKeyRGAQYYWWFGSGTE-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane?
The IUPAC name of 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane (CID 87182999) is 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane.
What is the SMILES notation for 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane?
The canonical SMILES for 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane is CCOC(COCCSCC)OC.
What is the InChIKey of 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane?
The InChIKey is RGAQYYWWFGSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-4-12-9(10-3)8-11-6-7-13-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane?
1-ethoxy-2-(2-ethylsulfanylethoxy)-1-methoxyethane has a molecular weight of 208.32 g/mol, XLogP of 1.77, 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-ethylsulfanylethoxy)-1-methoxyethane is sourced from PubChem (CID 87182999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).