2-methyl-2-(2-methylpentylsulfinyl)propanoic acid

C10H20O3S — CID 81227544

IUPAC2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
SMILESCCCC(C)CS(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H20O3S/c1-5-6-8(2)7-14(13)10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyJRTYPSWXEWYAGA-UHFFFAOYSA-N
MW220.33 g/mol
LogP2.03
Rot. Bonds6

About 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid

2-methyl-2-(2-methylpentylsulfinyl)propanoic acid (PubChem CID 81227544) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
PubChem CID81227544
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
SMILESCCCC(C)CS(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H20O3S/c1-5-6-8(2)7-14(13)10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyJRTYPSWXEWYAGA-UHFFFAOYSA-N
XLogP2.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid
CID 81230859
2-methyl-3-(2-methylpentylsulfinyl)propanoic acid
CID 64915156
2-methyl-2-pentylsulfinylpropanoic acid
CID 81229860
3-(2-methylpentylsulfinyl)propanoic acid
CID 62266783
2-aminoacetic acid;4-methylheptane
CID 143106228
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418
2,2,4,4,6-pentamethylnonanoic acid
CID 143847726
2-methyl-2-propan-2-ylsulfinylpropanoic acid
CID 81229869
2-methyl-2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
CID 81228339
2-methyl-2-(2-propoxyethylsulfinyl)propanoic acid
CID 106455747
2-(ethoxymethylsulfinyl)-2-methylpropanoic acid
CID 81228613
2-methyl-2-(2-propylsulfonylethylsulfinyl)propanoic acid
CID 106728557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid (CID 81227544) is 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid is CCCC(C)CS(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid?
The InChIKey is JRTYPSWXEWYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-5-6-8(2)7-14(13)10(3,4)9(11)12/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid?
2-methyl-2-(2-methylpentylsulfinyl)propanoic acid has a molecular weight of 220.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpentylsulfinyl)propanoic acid is sourced from PubChem (CID 81227544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).