2-methyl-4-methylsulfonylhexan-2-ol

C8H18O3S — CID 157338063

IUPAC2-methyl-4-methylsulfonylhexan-2-ol
SMILESCCC(CC(C)(C)O)S(C)(=O)=O
InChIInChI=1S/C8H18O3S/c1-5-7(12(4,10)11)6-8(2,3)9/h7,9H,5-6H2,1-4H3
InChIKeyBGBNRXQOQGWMDG-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.97
Rot. Bonds4

About 2-methyl-4-methylsulfonylhexan-2-ol

2-methyl-4-methylsulfonylhexan-2-ol (PubChem CID 157338063) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonylhexan-2-ol.

Molecular Properties

Compound Name2-methyl-4-methylsulfonylhexan-2-ol
PubChem CID157338063
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name2-methyl-4-methylsulfonylhexan-2-ol
SMILESCCC(CC(C)(C)O)S(C)(=O)=O
InChIInChI=1S/C8H18O3S/c1-5-7(12(4,10)11)6-8(2,3)9/h7,9H,5-6H2,1-4H3
InChIKeyBGBNRXQOQGWMDG-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonylhexan-2-ol?
The IUPAC name of 2-methyl-4-methylsulfonylhexan-2-ol (CID 157338063) is 2-methyl-4-methylsulfonylhexan-2-ol.
What is the SMILES notation for 2-methyl-4-methylsulfonylhexan-2-ol?
The canonical SMILES for 2-methyl-4-methylsulfonylhexan-2-ol is CCC(CC(C)(C)O)S(C)(=O)=O.
What is the InChIKey of 2-methyl-4-methylsulfonylhexan-2-ol?
The InChIKey is BGBNRXQOQGWMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-5-7(12(4,10)11)6-8(2,3)9/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-4-methylsulfonylhexan-2-ol?
2-methyl-4-methylsulfonylhexan-2-ol has a molecular weight of 194.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonylhexan-2-ol is sourced from PubChem (CID 157338063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).