1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane

C11H24O3S — CID 139212637

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane
SMILESCCCCSCCOCCOCCOC
InChIInChI=1S/C11H24O3S/c1-3-4-10-15-11-9-14-8-7-13-6-5-12-2/h3-11H2,1-2H3
InChIKeyDXSMXESZXMTSDR-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.20
Rot. Bonds12

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane

1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane (PubChem CID 139212637) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane
PubChem CID139212637
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane
SMILESCCCCSCCOCCOCCOC
InChIInChI=1S/C11H24O3S/c1-3-4-10-15-11-9-14-8-7-13-6-5-12-2/h3-11H2,1-2H3
InChIKeyDXSMXESZXMTSDR-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxa-7,10-dithiacyclododecane
CID 181662
bis-(2-Ethoxyethyl) sulfide
CID 54290232
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
1-(2-Butoxyethoxy)-2-[2-(2-butoxyethoxy)ethylthio]ethane
CID 3842832
1,4,7-Trioxa-10,13-dithiacyclopentadecane
CID 12029889
1,4,7,10,13-Pentaoxa-16-thiacyclooctadecane
CID 12661566
Bis(2-propoxyethyl) sulfide
CID 58332404
Bis(2-butoxyethyl) sulfide
CID 86131233
1-Butoxy-2-butylmercaptoethane
CID 86145645
Fluoro-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-dimethyl-lambda4-sulfane
CID 129214776
2-Butylthio-1-(2-butylthioethoxy)ethane
CID 3500241
1-[2-(2-Propylsulfanylethoxy)ethylsulfanyl]propane
CID 14249167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane (CID 139212637) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane is CCCCSCCOCCOCCOC.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane?
The InChIKey is DXSMXESZXMTSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-3-4-10-15-11-9-14-8-7-13-6-5-12-2/h3-11H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane has a molecular weight of 236.38 g/mol, XLogP of 2.20, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butane is sourced from PubChem (CID 139212637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).