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

C16H34O4S — CID 3842832

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

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

1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane (PubChem CID 3842832) has the molecular formula C16H34O4S and a molecular weight of 322.51 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane
PubChem CID3842832
Molecular FormulaC16H34O4S
Molecular Weight322.51 g/mol
Exact Mass322.22
IUPAC Name1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane
SMILESCCCCOCCOCCSCCOCCOCCCC
InChIInChI=1S/C16H34O4S/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-16H2,1-2H3
InChIKeyRUJOQHYRFAIBJF-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

5,8,20,23-Tetraoxa-11,14,17-trithiaheptacosane
CID 3325241
5,20-Dioxa-8,11,14,17-tetrathiatetracosane
CID 4093893
1,4,7,13,16,19-Hexaoxa-10,22-dithiacyclotetracosane
CID 520450
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]butane
CID 139212637
Tris[2-(2-tert-butylsulfanylethoxy)ethyl] borate
CID 11135338
Tris[2-(2-ethylsulfanylethoxy)ethyl] borate
CID 11812524
Barium(2+);bis(2-(2-butoxyethoxy)ethanethiolate)
CID 22410828
1-Methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
1-Methylsulfanyl-3-[3-[2-[2-[2-[3-(3-methylsulfanylpropylsulfanyl)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]propane
CID 23516618
2-[2-[2-[1-[2-[1-[2-(2-Sulfanylethoxy)ethoxymethylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanethiol
CID 57638559
S-[3-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl] ethanethioate
CID 57724743
1,2-Bis[2-[2-(2-methylsulfanylethoxy)ethylsulfanyl]ethoxy]ethane
CID 58104761

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane?
The IUPAC name of 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane (CID 3842832) is 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane.
What is the SMILES notation for 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane?
The canonical SMILES for 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane is CCCCOCCOCCSCCOCCOCCCC.
What is the InChIKey of 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane?
The InChIKey is RUJOQHYRFAIBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4S/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane?
1-[2-[2-[2-(2-butoxyethoxy)ethylsulfanyl]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-butoxyethoxy)ethylsulfanyl]ethoxy]ethoxy]butane is sourced from PubChem (CID 3842832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).