2-(2-tert-butylsulfanylethoxy)ethanol

C8H18O2S — CID 10932017

IUPAC2-(2-tert-butylsulfanylethoxy)ethanol
SMILESCC(C)(C)SCCOCCO
InChIInChI=1S/C8H18O2S/c1-8(2,3)11-7-6-10-5-4-9/h9H,4-7H2,1-3H3
InChIKeyBLILGKJFEQILLH-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.53
Rot. Bonds5

About 2-(2-tert-butylsulfanylethoxy)ethanol

2-(2-tert-butylsulfanylethoxy)ethanol (PubChem CID 10932017) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-(2-tert-butylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-tert-butylsulfanylethoxy)ethanol
PubChem CID10932017
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name2-(2-tert-butylsulfanylethoxy)ethanol
SMILESCC(C)(C)SCCOCCO
InChIInChI=1S/C8H18O2S/c1-8(2,3)11-7-6-10-5-4-9/h9H,4-7H2,1-3H3
InChIKeyBLILGKJFEQILLH-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.53
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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Related Compounds

2-[2-(2-methoxyethoxy)ethylsulfanyl]-2-methylpropane
CID 134353103
1-(2-tert-butylsulfanylethoxy)-4,4-dimethylpentane
CID 155109854
S-[2-(2-hydroxyethoxy)ethyl] 2,2-dimethylpropanethioate
CID 58533816
2-(2-propylsulfanylethoxy)ethanol
CID 61074993
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfanylethoxy)ethanol?
The IUPAC name of 2-(2-tert-butylsulfanylethoxy)ethanol (CID 10932017) is 2-(2-tert-butylsulfanylethoxy)ethanol.
What is the SMILES notation for 2-(2-tert-butylsulfanylethoxy)ethanol?
The canonical SMILES for 2-(2-tert-butylsulfanylethoxy)ethanol is CC(C)(C)SCCOCCO.
What is the InChIKey of 2-(2-tert-butylsulfanylethoxy)ethanol?
The InChIKey is BLILGKJFEQILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-8(2,3)11-7-6-10-5-4-9/h9H,4-7H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfanylethoxy)ethanol?
2-(2-tert-butylsulfanylethoxy)ethanol has a molecular weight of 178.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfanylethoxy)ethanol is sourced from PubChem (CID 10932017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).