3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol

C11H24O3S — CID 106734425

IUPAC3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol
SMILESCCCS(=O)(=O)CCC(CO)C(C)(C)C
InChIInChI=1S/C11H24O3S/c1-5-7-15(13,14)8-6-10(9-12)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyADRRSEWKLSNKFC-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.86
Rot. Bonds6

About 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol

3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol (PubChem CID 106734425) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol
PubChem CID106734425
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol
SMILESCCCS(=O)(=O)CCC(CO)C(C)(C)C
InChIInChI=1S/C11H24O3S/c1-5-7-15(13,14)8-6-10(9-12)11(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyADRRSEWKLSNKFC-UHFFFAOYSA-N
XLogP1.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-ol
CID 83139457
1-propylsulfonylpropane
CID 11709
2-(hydroxymethyl)-4-propylsulfonylbutanenitrile
CID 106730756
4-ethylsulfonyl-2-methylbutan-1-ol
CID 66058110
1-bromo-2-methyl-4-propylsulfonylbutane
CID 106734589
4-methyl-6-propylsulfonylhexan-2-one
CID 106732166
3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 58361149
1-amino-4-propylsulfonylbutan-2-ol
CID 106734192
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
N,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729620
4-chloro-3-methyl-1-propylsulfonylpentane
CID 106729085
N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol (CID 106734425) is 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol is CCCS(=O)(=O)CCC(CO)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol?
The InChIKey is ADRRSEWKLSNKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-5-7-15(13,14)8-6-10(9-12)11(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol?
3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-ol is sourced from PubChem (CID 106734425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).