2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid

C8H16O5S — CID 112589540

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid
SMILESCC(C)(C)OCCS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H16O5S/c1-8(2,3)13-4-5-14(11,12)6-7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKeyDJOKECCWJBXLEQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.30
Rot. Bonds5

About 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid

2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid (PubChem CID 112589540) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid
PubChem CID112589540
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid
SMILESCC(C)(C)OCCS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H16O5S/c1-8(2,3)13-4-5-14(11,12)6-7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKeyDJOKECCWJBXLEQ-UHFFFAOYSA-N
XLogP0.30
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(2-methylsulfonylethoxy)propane
CID 89144849
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]phenyl]acetic acid
CID 115942726
2-[(2-methylpropan-2-yl)oxy]ethanesulfonate
CID 140594231
2-(3-ethylsulfonylpropoxy)-2-methylpropane
CID 157310834
3-[4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]phenyl]propanoic acid
CID 115942990
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686610
2-[3-(4-methoxyphenoxy)propylsulfonyl]acetic acid
CID 82180471
2-(4-cyano-4-methylpentyl)sulfonylacetic acid
CID 65256013
2-[2-(tert-butylamino)-2-oxoethyl]sulfonylacetic acid
CID 24709520
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
methyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686629
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid (CID 112589540) is 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid is CC(C)(C)OCCS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid?
The InChIKey is DJOKECCWJBXLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-8(2,3)13-4-5-14(11,12)6-7(9)10/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid has a molecular weight of 224.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]acetic acid is sourced from PubChem (CID 112589540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).