2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol

C8H18O2S — CID 106454957

IUPAC2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
SMILESCC(C)COCCSCCO
InChIInChI=1S/C8H18O2S/c1-8(2)7-10-4-6-11-5-3-9/h8-9H,3-7H2,1-2H3
InChIKeyFTLUUGYWYZYPAJ-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.38
Rot. Bonds7

About 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol

2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol (PubChem CID 106454957) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
PubChem CID106454957
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
SMILESCC(C)COCCSCCO
InChIInChI=1S/C8H18O2S/c1-8(2)7-10-4-6-11-5-3-9/h8-9H,3-7H2,1-2H3
InChIKeyFTLUUGYWYZYPAJ-UHFFFAOYSA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.38
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-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-amino-4-[2-(2-methylpropoxy)ethylsulfanyl]butanoic acid
CID 106453121
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol
CID 91250922
1-(3-ethylsulfanylpropoxy)-2-methylpropane
CID 88933901
[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol
CID 106454968
2-methyl-1-[3-[2-(trioxidanylsulfanyl)ethylsulfanyl]propoxy]propane
CID 20776927
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
3-methyl-2-[2-(2-methylpropoxy)ethylsulfanyl]butanoic acid
CID 106449636
2-(2-methylpropoxy)ethyl N'-aminocarbamimidothioate
CID 106459243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol (CID 106454957) is 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol is CC(C)COCCSCCO.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol?
The InChIKey is FTLUUGYWYZYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-8(2)7-10-4-6-11-5-3-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol?
2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol has a molecular weight of 178.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol is sourced from PubChem (CID 106454957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).