2-methyl-2-methylsulfinylhexane

C8H18OS — CID 89314102

IUPAC2-methyl-2-methylsulfinylhexane
SMILESCCCCC(C)(C)S(C)=O
InChIInChI=1S/C8H18OS/c1-5-6-7-8(2,3)10(4)9/h5-7H2,1-4H3
InChIKeyGUTAAFCDPZJGMB-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.33
Rot. Bonds4

About 2-methyl-2-methylsulfinylhexane

2-methyl-2-methylsulfinylhexane (PubChem CID 89314102) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-methyl-2-methylsulfinylhexane.

Molecular Properties

Compound Name2-methyl-2-methylsulfinylhexane
PubChem CID89314102
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-methyl-2-methylsulfinylhexane
SMILESCCCCC(C)(C)S(C)=O
InChIInChI=1S/C8H18OS/c1-5-6-7-8(2,3)10(4)9/h5-7H2,1-4H3
InChIKeyGUTAAFCDPZJGMB-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylhexane-2-sulfinamide
CID 123826931
2-methyl-2-octylsulfinylundecane
CID 139841324
2,2-dimethylhexane
CID 169424592
2-butyl-2-methylhexanoic acid
CID 15930803
3-methyl-3-[3-methylheptan-3-yl(sulfino)amino]heptane
CID 91184478
azane;2,2-dimethylhexane
CID 161105081
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylundecan-2-ylsulfinyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100934734
bis(5-butylnonan-5-yl)silane
CID 173414247
trihexyl(methylsulfinylmethyl)stannane
CID 88848412
2-methyl-2-(2-methylbutan-2-ylsulfinyl)pentane
CID 88562947
CID 59070082
CID 59070082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfinylhexane?
The IUPAC name of 2-methyl-2-methylsulfinylhexane (CID 89314102) is 2-methyl-2-methylsulfinylhexane.
What is the SMILES notation for 2-methyl-2-methylsulfinylhexane?
The canonical SMILES for 2-methyl-2-methylsulfinylhexane is CCCCC(C)(C)S(C)=O.
What is the InChIKey of 2-methyl-2-methylsulfinylhexane?
The InChIKey is GUTAAFCDPZJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-5-6-7-8(2,3)10(4)9/h5-7H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfinylhexane?
2-methyl-2-methylsulfinylhexane has a molecular weight of 162.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfinylhexane is sourced from PubChem (CID 89314102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).