2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol

C9H20O4S — CID 104565079

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
SMILESCOCCOCCOCCSCCO
InChIInChI=1S/C9H20O4S/c1-11-3-4-12-5-6-13-7-9-14-8-2-10/h10H,2-9H2,1H3
InChIKeyFMIFKYGZKBRRIR-UHFFFAOYSA-N
MW224.32 g/mol
LogP0.39
Rot. Bonds11

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol (PubChem CID 104565079) has the molecular formula C9H20O4S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
PubChem CID104565079
Molecular FormulaC9H20O4S
Molecular Weight224.32 g/mol
Exact Mass224.11
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
SMILESCOCCOCCOCCSCCO
InChIInChI=1S/C9H20O4S/c1-11-3-4-12-5-6-13-7-9-14-8-2-10/h10H,2-9H2,1H3
InChIKeyFMIFKYGZKBRRIR-UHFFFAOYSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
3-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropan-1-ol
CID 66105162
4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
CID 152523585
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
CID 173220680
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183
2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
CID 106454957
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
CID 169283665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol (CID 104565079) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol is COCCOCCOCCSCCO.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol?
The InChIKey is FMIFKYGZKBRRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4S/c1-11-3-4-12-5-6-13-7-9-14-8-2-10/h10H,2-9H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol has a molecular weight of 224.32 g/mol, XLogP of 0.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol is sourced from PubChem (CID 104565079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).