2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane

C14H26O4S2 — CID 142135457

IUPAC2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
SMILESC1CCC(OCCSCCSCCOC2CCO2)OC1
InChIInChI=1S/C14H26O4S2/c1-2-5-15-13(3-1)17-7-9-19-11-12-20-10-8-18-14-4-6-16-14/h13-14H,1-12H2
InChIKeyGWQQSSQYYLKKDX-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.76
Rot. Bonds11

About 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane

2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane (PubChem CID 142135457) has the molecular formula C14H26O4S2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
PubChem CID142135457
Molecular FormulaC14H26O4S2
Molecular Weight322.49 g/mol
Exact Mass322.13
IUPAC Name2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
SMILESC1CCC(OCCSCCSCCOC2CCO2)OC1
InChIInChI=1S/C14H26O4S2/c1-2-5-15-13(3-1)17-7-9-19-11-12-20-10-8-18-14-4-6-16-14/h13-14H,1-12H2
InChIKeyGWQQSSQYYLKKDX-UHFFFAOYSA-N
XLogP2.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.76
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-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
2-[2-(oxan-2-yloxy)ethylsulfanyl]acetic acid
CID 61369469
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(2-chloroethoxy)oxepane
CID 24977653
2-(4-methoxysulfanylbutoxy)oxane
CID 143349371
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
(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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane (CID 142135457) is 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane is C1CCC(OCCSCCSCCOC2CCO2)OC1.
What is the InChIKey of 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
The InChIKey is GWQQSSQYYLKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4S2/c1-2-5-15-13(3-1)17-7-9-19-11-12-20-10-8-18-14-4-6-16-14/h13-14H,1-12H2.
What are the key properties of 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane?
2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane has a molecular weight of 322.49 g/mol, XLogP of 2.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane is sourced from PubChem (CID 142135457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).