2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol

C9H18O3S2 — CID 124563179

IUPAC2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol
SMILESOCCSSCCO[C@@H]1CCCCO1
InChIInChI=1S/C9H18O3S2/c10-4-7-13-14-8-6-12-9-3-1-2-5-11-9/h9-10H,1-8H2/t9-/m1/s1
InChIKeyHUXQKDXLBYDKAK-SECBINFHSA-N
MW238.37 g/mol
LogP1.90
Rot. Bonds7

About 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol

2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol (PubChem CID 124563179) has the molecular formula C9H18O3S2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol
PubChem CID124563179
Molecular FormulaC9H18O3S2
Molecular Weight238.37 g/mol
Exact Mass238.07
IUPAC Name2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol
SMILESOCCSSCCO[C@@H]1CCCCO1
InChIInChI=1S/C9H18O3S2/c10-4-7-13-14-8-6-12-9-3-1-2-5-11-9/h9-10H,1-8H2/t9-/m1/s1
InChIKeyHUXQKDXLBYDKAK-SECBINFHSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol?
The IUPAC name of 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol (CID 124563179) is 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol.
What is the SMILES notation for 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol?
The canonical SMILES for 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol is OCCSSCCO[C@@H]1CCCCO1.
What is the InChIKey of 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol?
The InChIKey is HUXQKDXLBYDKAK-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O3S2/c10-4-7-13-14-8-6-12-9-3-1-2-5-11-9/h9-10H,1-8H2/t9-/m1/s1.
What are the key properties of 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol?
2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol has a molecular weight of 238.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-oxan-2-yl]oxyethyldisulfanyl]ethanol is sourced from PubChem (CID 124563179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).