1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane

C9H20O5S — CID 87183029

IUPAC1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane
SMILESCCS(=O)(=O)C(C)OC(C)OC(C)OC
InChIInChI=1S/C9H20O5S/c1-6-15(10,11)9(4)14-8(3)13-7(2)12-5/h7-9H,6H2,1-5H3
InChIKeyQEZZJGZCAAYAGS-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.14
Rot. Bonds7

About 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane

1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane (PubChem CID 87183029) has the molecular formula C9H20O5S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane.

Molecular Properties

Compound Name1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane
PubChem CID87183029
Molecular FormulaC9H20O5S
Molecular Weight240.32 g/mol
Exact Mass240.10
IUPAC Name1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane
SMILESCCS(=O)(=O)C(C)OC(C)OC(C)OC
InChIInChI=1S/C9H20O5S/c1-6-15(10,11)9(4)14-8(3)13-7(2)12-5/h7-9H,6H2,1-5H3
InChIKeyQEZZJGZCAAYAGS-UHFFFAOYSA-N
XLogP1.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfonyl-2-methoxyethanamine
CID 57318629
lithium;1,1-dimethoxyethane;hydride
CID 174450087
1-(1-methoxyethoxy)ethoxyphosphane
CID 174691665
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
(1R)-1-chloro-1-ethylsulfonylethane
CID 94036814
1-(1-ethoxyethoxy)ethylsulfonylbenzene
CID 12656509
1,1-dimethoxyethane;hafnium
CID 159457910
1,1-dimethoxyethane chloride
CID 22648542
3-(1-methoxyethoxy)hexane
CID 145051636
methyl 2-ethylsulfonyl-3-methylbutanoate
CID 117037776
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1-(1-methoxyethoxy)butan-1-amine
CID 19838576

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane?
The IUPAC name of 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane (CID 87183029) is 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane.
What is the SMILES notation for 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane?
The canonical SMILES for 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane is CCS(=O)(=O)C(C)OC(C)OC(C)OC.
What is the InChIKey of 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane?
The InChIKey is QEZZJGZCAAYAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5S/c1-6-15(10,11)9(4)14-8(3)13-7(2)12-5/h7-9H,6H2,1-5H3.
What are the key properties of 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane?
1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane has a molecular weight of 240.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylsulfonylethoxy)ethoxy]-1-methoxyethane is sourced from PubChem (CID 87183029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).