2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol

C9H18O3S — CID 58651785

IUPAC2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol
SMILESOCCSCCOC1CCCCO1
InChIInChI=1S/C9H18O3S/c10-4-7-13-8-6-12-9-3-1-2-5-11-9/h9-10H,1-8H2
InChIKeyHNIJRRCCLDYCLS-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.26
Rot. Bonds6

About 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol

2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol (PubChem CID 58651785) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol
PubChem CID58651785
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol
SMILESOCCSCCOC1CCCCO1
InChIInChI=1S/C9H18O3S/c10-4-7-13-8-6-12-9-3-1-2-5-11-9/h9-10H,1-8H2
InChIKeyHNIJRRCCLDYCLS-UHFFFAOYSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(oxan-2-yloxy)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol (CID 58651785) is 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol is OCCSCCOC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol?
The InChIKey is HNIJRRCCLDYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c10-4-7-13-8-6-12-9-3-1-2-5-11-9/h9-10H,1-8H2.
What are the key properties of 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol?
2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol has a molecular weight of 206.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethylsulfanyl]ethanol is sourced from PubChem (CID 58651785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).