1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane

C16H34O4S — CID 4194759

IUPAC1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCCSCCCC
InChIInChI=1S/C16H34O4S/c1-3-5-7-17-8-9-18-10-11-19-12-13-20-14-16-21-15-6-4-2/h3-16H2,1-2H3
InChIKeyXPCMZGANNYBVGC-UHFFFAOYSA-N
MW322.51 g/mol
LogP3.39
Rot. Bonds18

About 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane

1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane (PubChem CID 4194759) has the molecular formula C16H34O4S and a molecular weight of 322.51 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane
PubChem CID4194759
Molecular FormulaC16H34O4S
Molecular Weight322.51 g/mol
Exact Mass322.22
IUPAC Name1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCCSCCCC
InChIInChI=1S/C16H34O4S/c1-3-5-7-17-8-9-18-10-11-19-12-13-20-14-16-21-15-6-4-2/h3-16H2,1-2H3
InChIKeyXPCMZGANNYBVGC-UHFFFAOYSA-N
XLogP3.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-octylsulfanylethoxy)ethylsulfanyl]octane
CID 175705255
2-(2-butylsulfanylethoxy)ethanol
CID 3743869
2-(3-butoxypropylsulfanyl)ethanol
CID 57261979
2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
CID 100932601
2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
CID 20788584
1-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-[3-[6-[2-(3-pentylsulfanylpropoxy)ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]hexylsulfanyl]propoxy]ethoxy]-6-[3-(2-propoxyethoxy)propylsulfanyl]hexane
CID 157087249
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane?
The IUPAC name of 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane (CID 4194759) is 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane.
What is the SMILES notation for 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane?
The canonical SMILES for 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane is CCCCOCCOCCOCCOCCSCCCC.
What is the InChIKey of 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane?
The InChIKey is XPCMZGANNYBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4S/c1-3-5-7-17-8-9-18-10-11-19-12-13-20-14-16-21-15-6-4-2/h3-16H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane?
1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane has a molecular weight of 322.51 g/mol, XLogP of 3.39, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane is sourced from PubChem (CID 4194759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).