2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol

C12H26O3S — CID 524003

IUPAC2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol
SMILESCCCCCCSCCOCCOCCO
InChIInChI=1S/C12H26O3S/c1-2-3-4-5-11-16-12-10-15-9-8-14-7-6-13/h13H,2-12H2,1H3
InChIKeyWRKMHGBLFGTHHZ-UHFFFAOYSA-N
MW250.40 g/mol
LogP2.33
Rot. Bonds13

About 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol

2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol (PubChem CID 524003) has the molecular formula C12H26O3S and a molecular weight of 250.40 g/mol. Its IUPAC name is 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol
PubChem CID524003
Molecular FormulaC12H26O3S
Molecular Weight250.40 g/mol
Exact Mass250.16
IUPAC Name2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol
SMILESCCCCCCSCCOCCOCCO
InChIInChI=1S/C12H26O3S/c1-2-3-4-5-11-16-12-10-15-9-8-14-7-6-13/h13H,2-12H2,1H3
InChIKeyWRKMHGBLFGTHHZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Dodecylsulfanylethoxy)ethanol
CID 61574
Triethylene glycol, thio, S-octyl
CID 524004
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
CID 5748724
2-Propanol, 1-[1-methyl-2-[1-methyl-2-(methylthio)ethoxy]ethoxy]-
CID 20834287
Diethylene glycol, monothio, S-hexyl
CID 523995
1-Ethoxy-3-ethylsulfanylpropan-2-ol
CID 12534150
2-(Heptylsulfanylmethoxy)ethanol
CID 124080817
2-{2-[2-(2-Hexyloxyethoxy)ethoxy]ethylthio}ethan-1-ol
CID 4397901
1-Butoxy-3-butylsulfanylpropan-2-ol
CID 5338993
1-Butylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 5339010
Diethylene glycol, thio, S-octyl
CID 523996
8-Butyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol (CID 524003) is 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol is CCCCCCSCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol?
The InChIKey is WRKMHGBLFGTHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S/c1-2-3-4-5-11-16-12-10-15-9-8-14-7-6-13/h13H,2-12H2,1H3.
What are the key properties of 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol?
2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol has a molecular weight of 250.40 g/mol, XLogP of 2.33, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hexylsulfanylethoxy)ethoxy]ethanol is sourced from PubChem (CID 524003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).