2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid

C8H16O5S — CID 103411624

IUPAC2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid
SMILESCOCCOCCCS(=O)CC(=O)O
InChIInChI=1S/C8H16O5S/c1-12-4-5-13-3-2-6-14(11)7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyKZGCPMSRXVMLEP-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.13
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid

2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid (PubChem CID 103411624) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid
PubChem CID103411624
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid
SMILESCOCCOCCCS(=O)CC(=O)O
InChIInChI=1S/C8H16O5S/c1-12-4-5-13-3-2-6-14(11)7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyKZGCPMSRXVMLEP-UHFFFAOYSA-N
XLogP-0.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.13
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-butoxyethylsulfinyl)acetic acid
CID 61483654
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]ethanol
CID 158833694
2-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]acetic acid
CID 61490342
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
carbonic acid;1-(2-hydroperoxyethoxy)-2-methoxyethane
CID 118305943
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
4-(3-methoxypropoxy)butanoic acid
CID 60918159

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid (CID 103411624) is 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid is COCCOCCCS(=O)CC(=O)O.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid?
The InChIKey is KZGCPMSRXVMLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-12-4-5-13-3-2-6-14(11)7-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid?
2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid has a molecular weight of 224.28 g/mol, XLogP of -0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propylsulfinyl]acetic acid is sourced from PubChem (CID 103411624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).