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

C9H20O5S — CID 58517140

IUPAC2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
SMILESCCCS(=O)(=O)CCOCCOCCO
InChIInChI=1S/C9H20O5S/c1-2-8-15(11,12)9-7-14-6-5-13-4-3-10/h10H,2-9H2,1H3
InChIKeyITGNPUORPMMKQB-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.16
Rot. Bonds10

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

2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol (PubChem CID 58517140) has the molecular formula C9H20O5S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
PubChem CID58517140
Molecular FormulaC9H20O5S
Molecular Weight240.32 g/mol
Exact Mass240.10
IUPAC Name2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
SMILESCCCS(=O)(=O)CCOCCOCCO
InChIInChI=1S/C9H20O5S/c1-2-8-15(11,12)9-7-14-6-5-13-4-3-10/h10H,2-9H2,1H3
InChIKeyITGNPUORPMMKQB-UHFFFAOYSA-N
XLogP-0.16
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate
CID 23194496
2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol
CID 86665515
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
1-propylsulfonylpropane
CID 11709
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
CID 154161522
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol (CID 58517140) is 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol is CCCS(=O)(=O)CCOCCOCCO.
What is the InChIKey of 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol?
The InChIKey is ITGNPUORPMMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5S/c1-2-8-15(11,12)9-7-14-6-5-13-4-3-10/h10H,2-9H2,1H3.
What are the key properties of 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol?
2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol has a molecular weight of 240.32 g/mol, XLogP of -0.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol is sourced from PubChem (CID 58517140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).