2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid

C10H18O4S — CID 107753126

IUPAC2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
SMILESCC1OCCC1S(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18O4S/c1-7-8(4-5-14-7)15(13)6-10(2,3)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyUCAJAQIROPKMJY-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.02
Rot. Bonds4

About 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid

2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid (PubChem CID 107753126) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
PubChem CID107753126
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
SMILESCC1OCCC1S(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18O4S/c1-7-8(4-5-14-7)15(13)6-10(2,3)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyUCAJAQIROPKMJY-UHFFFAOYSA-N
XLogP1.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
2-methyl-N-[2-(2-methyloxolan-3-yl)sulfinylethyl]propan-2-amine
CID 107758417
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753074
benzyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753081
3-[(2-methyloxolan-3-yl)sulfinylmethyl]benzoic acid
CID 107753094
3-[(2-methyloxolan-3-yl)sulfinylmethyl]-1-benzofuran-2-carboxylic acid
CID 107753106
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
CID 107758266
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 107764219
1-(furan-2-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764333
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid (CID 107753126) is 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid is CC1OCCC1S(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid?
The InChIKey is UCAJAQIROPKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-7-8(4-5-14-7)15(13)6-10(2,3)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid?
2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid has a molecular weight of 234.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid is sourced from PubChem (CID 107753126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).