2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate

C11H22O6S — CID 125484596

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
SMILESCOCCOCCOCCOCCOC(=O)CS
InChIInChI=1S/C11H22O6S/c1-13-2-3-14-4-5-15-6-7-16-8-9-17-11(12)10-18/h18H,2-10H2,1H3
InChIKeyXREGHPCSJCSKAQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.16
Rot. Bonds13

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate (PubChem CID 125484596) has the molecular formula C11H22O6S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
PubChem CID125484596
Molecular FormulaC11H22O6S
Molecular Weight282.36 g/mol
Exact Mass282.11
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
SMILESCOCCOCCOCCOCCOC(=O)CS
InChIInChI=1S/C11H22O6S/c1-13-2-3-14-4-5-15-6-7-16-8-9-17-11(12)10-18/h18H,2-10H2,1H3
InChIKeyXREGHPCSJCSKAQ-UHFFFAOYSA-N
XLogP0.16
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
CID 173439271
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 101101896
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
CID 101278877
2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate (CID 125484596) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate is COCCOCCOCCOCCOC(=O)CS.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate?
The InChIKey is XREGHPCSJCSKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6S/c1-13-2-3-14-4-5-15-6-7-16-8-9-17-11(12)10-18/h18H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate has a molecular weight of 282.36 g/mol, XLogP of 0.16, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate is sourced from PubChem (CID 125484596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).