1-(2-tert-butylsulfanylethoxy)ethanol

C8H18O2S — CID 22420352

IUPAC1-(2-tert-butylsulfanylethoxy)ethanol
SMILESCC(O)OCCSC(C)(C)C
InChIInChI=1S/C8H18O2S/c1-7(9)10-5-6-11-8(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyPEKYDMQGEXMORX-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-tert-butylsulfanylethoxy)ethanol

1-(2-tert-butylsulfanylethoxy)ethanol (PubChem CID 22420352) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylethoxy)ethanol
PubChem CID22420352
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-(2-tert-butylsulfanylethoxy)ethanol
SMILESCC(O)OCCSC(C)(C)C
InChIInChI=1S/C8H18O2S/c1-7(9)10-5-6-11-8(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyPEKYDMQGEXMORX-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-tert-butylsulfanylethoxy)ethanol?
The IUPAC name of 1-(2-tert-butylsulfanylethoxy)ethanol (CID 22420352) is 1-(2-tert-butylsulfanylethoxy)ethanol.
What is the SMILES notation for 1-(2-tert-butylsulfanylethoxy)ethanol?
The canonical SMILES for 1-(2-tert-butylsulfanylethoxy)ethanol is CC(O)OCCSC(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfanylethoxy)ethanol?
The InChIKey is PEKYDMQGEXMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-7(9)10-5-6-11-8(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfanylethoxy)ethanol?
1-(2-tert-butylsulfanylethoxy)ethanol has a molecular weight of 178.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylethoxy)ethanol is sourced from PubChem (CID 22420352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).