2-methyl-2-methylsulfinylpentane

C7H16OS — CID 24875476

IUPAC2-methyl-2-methylsulfinylpentane
SMILESCCCC(C)(C)S(C)=O
InChIInChI=1S/C7H16OS/c1-5-6-7(2,3)9(4)8/h5-6H2,1-4H3
InChIKeyJPHIMUFEVGDUBV-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-2-methylsulfinylpentane

2-methyl-2-methylsulfinylpentane (PubChem CID 24875476) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-methyl-2-methylsulfinylpentane.

Molecular Properties

Compound Name2-methyl-2-methylsulfinylpentane
PubChem CID24875476
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-methyl-2-methylsulfinylpentane
SMILESCCCC(C)(C)S(C)=O
InChIInChI=1S/C7H16OS/c1-5-6-7(2,3)9(4)8/h5-6H2,1-4H3
InChIKeyJPHIMUFEVGDUBV-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfinylpentane?
The IUPAC name of 2-methyl-2-methylsulfinylpentane (CID 24875476) is 2-methyl-2-methylsulfinylpentane.
What is the SMILES notation for 2-methyl-2-methylsulfinylpentane?
The canonical SMILES for 2-methyl-2-methylsulfinylpentane is CCCC(C)(C)S(C)=O.
What is the InChIKey of 2-methyl-2-methylsulfinylpentane?
The InChIKey is JPHIMUFEVGDUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-5-6-7(2,3)9(4)8/h5-6H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfinylpentane?
2-methyl-2-methylsulfinylpentane has a molecular weight of 148.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfinylpentane is sourced from PubChem (CID 24875476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).