2-(2-hexylsulfanylethoxy)ethanol

C10H22O2S — CID 523995

IUPAC2-(2-hexylsulfanylethoxy)ethanol
SMILESCCCCCCSCCOCCO
InChIInChI=1S/C10H22O2S/c1-2-3-4-5-9-13-10-8-12-7-6-11/h11H,2-10H2,1H3
InChIKeyRZRAIUMCYHFWCL-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.31
Rot. Bonds10

About 2-(2-hexylsulfanylethoxy)ethanol

2-(2-hexylsulfanylethoxy)ethanol (PubChem CID 523995) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-(2-hexylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-hexylsulfanylethoxy)ethanol
PubChem CID523995
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-(2-hexylsulfanylethoxy)ethanol
SMILESCCCCCCSCCOCCO
InChIInChI=1S/C10H22O2S/c1-2-3-4-5-9-13-10-8-12-7-6-11/h11H,2-10H2,1H3
InChIKeyRZRAIUMCYHFWCL-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 2-(2-hexylsulfanylethoxy)ethanol?
The IUPAC name of 2-(2-hexylsulfanylethoxy)ethanol (CID 523995) is 2-(2-hexylsulfanylethoxy)ethanol.
What is the SMILES notation for 2-(2-hexylsulfanylethoxy)ethanol?
The canonical SMILES for 2-(2-hexylsulfanylethoxy)ethanol is CCCCCCSCCOCCO.
What is the InChIKey of 2-(2-hexylsulfanylethoxy)ethanol?
The InChIKey is RZRAIUMCYHFWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-2-3-4-5-9-13-10-8-12-7-6-11/h11H,2-10H2,1H3.
What are the key properties of 2-(2-hexylsulfanylethoxy)ethanol?
2-(2-hexylsulfanylethoxy)ethanol has a molecular weight of 206.35 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexylsulfanylethoxy)ethanol is sourced from PubChem (CID 523995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).