methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate

C8H16O5S — CID 57297154

IUPACmethyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate
SMILESCOCCOCC[S@@](=O)CC(=O)OC
InChIInChI=1S/C8H16O5S/c1-11-3-4-13-5-6-14(10)7-8(9)12-2/h3-7H2,1-2H3/t14-/m1/s1
InChIKeyPQBHZRJZKFXUOP-CQSZACIVSA-N
MW224.28 g/mol
LogP-0.43
Rot. Bonds8

About methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate

methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate (PubChem CID 57297154) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate
PubChem CID57297154
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Namemethyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate
SMILESCOCCOCC[S@@](=O)CC(=O)OC
InChIInChI=1S/C8H16O5S/c1-11-3-4-13-5-6-14(10)7-8(9)12-2/h3-7H2,1-2H3/t14-/m1/s1
InChIKeyPQBHZRJZKFXUOP-CQSZACIVSA-N
XLogP-0.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate?
The IUPAC name of methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate (CID 57297154) is methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate.
What is the SMILES notation for methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate?
The canonical SMILES for methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate is COCCOCC[S@@](=O)CC(=O)OC.
What is the InChIKey of methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate?
The InChIKey is PQBHZRJZKFXUOP-CQSZACIVSA-N. The full InChI is InChI=1S/C8H16O5S/c1-11-3-4-13-5-6-14(10)7-8(9)12-2/h3-7H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate?
methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate has a molecular weight of 224.28 g/mol, XLogP of -0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(R)-2-(2-methoxyethoxy)ethylsulfinyl]acetate is sourced from PubChem (CID 57297154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).