cyclohexyl(methylsulfonyl)methanol

C8H16O3S — CID 67465606

IUPACcyclohexyl(methylsulfonyl)methanol
SMILESCS(=O)(=O)C(O)C1CCCCC1
InChIInChI=1S/C8H16O3S/c1-12(10,11)8(9)7-5-3-2-4-6-7/h7-9H,2-6H2,1H3
InChIKeyGCYIJZBTFXWXNP-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.93
Rot. Bonds2

About cyclohexyl(methylsulfonyl)methanol

cyclohexyl(methylsulfonyl)methanol (PubChem CID 67465606) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is cyclohexyl(methylsulfonyl)methanol.

Molecular Properties

Compound Namecyclohexyl(methylsulfonyl)methanol
PubChem CID67465606
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Namecyclohexyl(methylsulfonyl)methanol
SMILESCS(=O)(=O)C(O)C1CCCCC1
InChIInChI=1S/C8H16O3S/c1-12(10,11)8(9)7-5-3-2-4-6-7/h7-9H,2-6H2,1H3
InChIKeyGCYIJZBTFXWXNP-UHFFFAOYSA-N
XLogP0.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(methylsulfonyl)methanol?
The IUPAC name of cyclohexyl(methylsulfonyl)methanol (CID 67465606) is cyclohexyl(methylsulfonyl)methanol.
What is the SMILES notation for cyclohexyl(methylsulfonyl)methanol?
The canonical SMILES for cyclohexyl(methylsulfonyl)methanol is CS(=O)(=O)C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl(methylsulfonyl)methanol?
The InChIKey is GCYIJZBTFXWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-12(10,11)8(9)7-5-3-2-4-6-7/h7-9H,2-6H2,1H3.
What are the key properties of cyclohexyl(methylsulfonyl)methanol?
cyclohexyl(methylsulfonyl)methanol has a molecular weight of 192.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(methylsulfonyl)methanol is sourced from PubChem (CID 67465606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).