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

C12H26O6S — CID 12933548

IUPAC2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCSCCOCCOCCO
InChIInChI=1S/C12H26O6S/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChIKeySSXSFVKSVTVXQA-UHFFFAOYSA-N
MW298.40 g/mol
LogP-0.23
Rot. Bonds16

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

2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol (PubChem CID 12933548) has the molecular formula C12H26O6S and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol
PubChem CID12933548
Molecular FormulaC12H26O6S
Molecular Weight298.40 g/mol
Exact Mass298.15
IUPAC Name2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCSCCOCCOCCO
InChIInChI=1S/C12H26O6S/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChIKeySSXSFVKSVTVXQA-UHFFFAOYSA-N
XLogP-0.23
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol (CID 12933548) is 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol is OCCOCCOCCSCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol?
The InChIKey is SSXSFVKSVTVXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6S/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2.
What are the key properties of 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol has a molecular weight of 298.40 g/mol, XLogP of -0.23, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 12933548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).