2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol

C11H22O3S — CID 167041228

IUPAC2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol
SMILESCC(C)CS(=O)CC(C)(O)C1(C)COC1
InChIInChI=1S/C11H22O3S/c1-9(2)5-15(13)8-11(4,12)10(3)6-14-7-10/h9,12H,5-8H2,1-4H3
InChIKeyUVDBPEDXFPQBDF-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.18
Rot. Bonds5

About 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol

2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol (PubChem CID 167041228) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol
PubChem CID167041228
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol
SMILESCC(C)CS(=O)CC(C)(O)C1(C)COC1
InChIInChI=1S/C11H22O3S/c1-9(2)5-15(13)8-11(4,12)10(3)6-14-7-10/h9,12H,5-8H2,1-4H3
InChIKeyUVDBPEDXFPQBDF-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol?
The IUPAC name of 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol (CID 167041228) is 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol.
What is the SMILES notation for 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol?
The canonical SMILES for 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol is CC(C)CS(=O)CC(C)(O)C1(C)COC1.
What is the InChIKey of 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol?
The InChIKey is UVDBPEDXFPQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-9(2)5-15(13)8-11(4,12)10(3)6-14-7-10/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol?
2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol has a molecular weight of 234.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol is sourced from PubChem (CID 167041228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).