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

C9H20O3S — CID 87183000

IUPAC1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane
SMILESCCSCCOCCOCCOC
InChIInChI=1S/C9H20O3S/c1-3-13-9-8-12-7-6-11-5-4-10-2/h3-9H2,1-2H3
InChIKeyLEBCCEGRSRANQO-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.42
Rot. Bonds10

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

1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane (PubChem CID 87183000) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane
PubChem CID87183000
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane
SMILESCCSCCOCCOCCOC
InChIInChI=1S/C9H20O3S/c1-3-13-9-8-12-7-6-11-5-4-10-2/h3-9H2,1-2H3
InChIKeyLEBCCEGRSRANQO-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,10,13-Tetraoxa-7,16-dithiacyclooctadecane
CID 67527
1,4-Dioxa-7,10-dithiacyclododecane
CID 181662
1,7-Dioxa-4,10-dithiacyclododecane
CID 520439
bis-(2-Ethoxyethyl) sulfide
CID 54290232
6-Oxa-3,9-dithiaundecane
CID 560429
3,18-Dioxa-6,9,12,15-tetrathiaicosane
CID 5171446
1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane
CID 5250405
1,4,7-Trioxa-10,13-dithiacyclopentadecane
CID 12029889
1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane
CID 12661566
1,7,13-Trioxa-4,10,16-trithiacyclooctadecane
CID 20134732
S-[2-(2-methoxyethoxy)ethyl] ethanethioate
CID 22033250
Bis(2-propoxyethyl) sulfide
CID 58332404

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane (CID 87183000) is 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane is CCSCCOCCOCCOC.
What is the InChIKey of 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane?
The InChIKey is LEBCCEGRSRANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-3-13-9-8-12-7-6-11-5-4-10-2/h3-9H2,1-2H3.
What are the key properties of 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane?
1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane has a molecular weight of 208.32 g/mol, XLogP of 1.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylsulfanylethoxy)ethoxy]-2-methoxyethane is sourced from PubChem (CID 87183000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).