2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane

C19H36O4S2 — CID 20633393

IUPAC2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
SMILESC1CCC(OCCCSCCCSCCCOC2CCCCO2)OC1
InChIInChI=1S/C19H36O4S2/c1-3-10-20-18(8-1)22-12-5-14-24-16-7-17-25-15-6-13-23-19-9-2-4-11-21-19/h18-19H,1-17H2
InChIKeyPTDYWXXHXFQBDS-UHFFFAOYSA-N
MW392.63 g/mol
LogP4.71
Rot. Bonds14

About 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane

2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane (PubChem CID 20633393) has the molecular formula C19H36O4S2 and a molecular weight of 392.63 g/mol. Its IUPAC name is 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane.

Molecular Properties

Compound Name2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
PubChem CID20633393
Molecular FormulaC19H36O4S2
Molecular Weight392.63 g/mol
Exact Mass392.21
IUPAC Name2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
SMILESC1CCC(OCCCSCCCSCCCOC2CCCCO2)OC1
InChIInChI=1S/C19H36O4S2/c1-3-10-20-18(8-1)22-12-5-14-24-16-7-17-25-15-6-13-23-19-9-2-4-11-21-19/h18-19H,1-17H2
InChIKeyPTDYWXXHXFQBDS-UHFFFAOYSA-N
XLogP4.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
CID 142135457
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(3-methylsulfanylpropoxy)oxolane
CID 89213658
2-(4-methoxysulfanylbutoxy)oxane
CID 143349371
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-octacosoxyoxane
CID 11214102
2-(12-chlorododecoxy)oxane
CID 14014573
2-(18-iodooctadecoxy)oxane
CID 86124950

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane?
The IUPAC name of 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane (CID 20633393) is 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane.
What is the SMILES notation for 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane?
The canonical SMILES for 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane is C1CCC(OCCCSCCCSCCCOC2CCCCO2)OC1.
What is the InChIKey of 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane?
The InChIKey is PTDYWXXHXFQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4S2/c1-3-10-20-18(8-1)22-12-5-14-24-16-7-17-25-15-6-13-23-19-9-2-4-11-21-19/h18-19H,1-17H2.
What are the key properties of 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane?
2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane has a molecular weight of 392.63 g/mol, XLogP of 4.71, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane is sourced from PubChem (CID 20633393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).