2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate

C9H18O6S — CID 123117567

IUPAC2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate
SMILESCCOCCOC(=O)CS(=O)CC(O)CO
InChIInChI=1S/C9H18O6S/c1-2-14-3-4-15-9(12)7-16(13)6-8(11)5-10/h8,10-11H,2-7H2,1H3
InChIKeyPHHNZFTZPYFXFY-UHFFFAOYSA-N
MW254.30 g/mol
LogP-1.33
Rot. Bonds9

About 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate

2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate (PubChem CID 123117567) has the molecular formula C9H18O6S and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate
PubChem CID123117567
Molecular FormulaC9H18O6S
Molecular Weight254.30 g/mol
Exact Mass254.08
IUPAC Name2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate
SMILESCCOCCOC(=O)CS(=O)CC(O)CO
InChIInChI=1S/C9H18O6S/c1-2-14-3-4-15-9(12)7-16(13)6-8(11)5-10/h8,10-11H,2-7H2,1H3
InChIKeyPHHNZFTZPYFXFY-UHFFFAOYSA-N
XLogP-1.33
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
CID 123117550
2-ethoxyethyl 2-fluoroacetate
CID 88537895
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481559
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-ethoxyethyl 4-oxopentanoate
CID 22556205
3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid
CID 123114382

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate?
The IUPAC name of 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate (CID 123117567) is 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate is CCOCCOC(=O)CS(=O)CC(O)CO.
What is the InChIKey of 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate?
The InChIKey is PHHNZFTZPYFXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6S/c1-2-14-3-4-15-9(12)7-16(13)6-8(11)5-10/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate?
2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate has a molecular weight of 254.30 g/mol, XLogP of -1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate is sourced from PubChem (CID 123117567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).