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

C13H28O3S — CID 20788584

IUPAC2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
SMILESCCCCCCCSCCOCCOCCO
InChIInChI=1S/C13H28O3S/c1-2-3-4-5-6-12-17-13-11-16-10-9-15-8-7-14/h14H,2-13H2,1H3
InChIKeyVGUGZDXMCFKWEE-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.72
Rot. Bonds14

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

2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol (PubChem CID 20788584) has the molecular formula C13H28O3S and a molecular weight of 264.43 g/mol. Its IUPAC name is 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
PubChem CID20788584
Molecular FormulaC13H28O3S
Molecular Weight264.43 g/mol
Exact Mass264.18
IUPAC Name2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
SMILESCCCCCCCSCCOCCOCCO
InChIInChI=1S/C13H28O3S/c1-2-3-4-5-6-12-17-13-11-16-10-9-15-8-7-14/h14H,2-13H2,1H3
InChIKeyVGUGZDXMCFKWEE-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.72
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-(2-dodecylsulfanylethoxy)ethoxy]ethanol
CID 100932601
2-(2-butylsulfanylethoxy)ethanol
CID 3743869
1-[2-(2-octylsulfanylethoxy)ethylsulfanyl]octane
CID 175705255
2-(2-propylsulfanylethoxy)ethanol
CID 61074993
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butylsulfanyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123495249
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol (CID 20788584) is 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol is CCCCCCCSCCOCCOCCO.
What is the InChIKey of 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol?
The InChIKey is VGUGZDXMCFKWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3S/c1-2-3-4-5-6-12-17-13-11-16-10-9-15-8-7-14/h14H,2-13H2,1H3.
What are the key properties of 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol?
2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol has a molecular weight of 264.43 g/mol, XLogP of 2.72, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol is sourced from PubChem (CID 20788584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).