2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid

C10H18O4S — CID 81229268

IUPAC2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
SMILESCC(C)(C(=O)O)S(=O)CCC1CCCO1
InChIInChI=1S/C10H18O4S/c1-10(2,9(11)12)15(13)7-5-8-4-3-6-14-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyYACJUOPIHIOGHU-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid

2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid (PubChem CID 81229268) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
PubChem CID81229268
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
SMILESCC(C)(C(=O)O)S(=O)CCC1CCCO1
InChIInChI=1S/C10H18O4S/c1-10(2,9(11)12)15(13)7-5-8-4-3-6-14-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyYACJUOPIHIOGHU-UHFFFAOYSA-N
XLogP1.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid (CID 81229268) is 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid is CC(C)(C(=O)O)S(=O)CCC1CCCO1.
What is the InChIKey of 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
The InChIKey is YACJUOPIHIOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-10(2,9(11)12)15(13)7-5-8-4-3-6-14-8/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid?
2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid has a molecular weight of 234.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid is sourced from PubChem (CID 81229268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).