[1-(2-methylpropylsulfonyl)cyclohexyl]methanol

C11H22O3S — CID 58814953

IUPAC[1-(2-methylpropylsulfonyl)cyclohexyl]methanol
SMILESCC(C)CS(=O)(=O)C1(CO)CCCCC1
InChIInChI=1S/C11H22O3S/c1-10(2)8-15(13,14)11(9-12)6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKeyVWZZZUZYNKVHLL-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.75
Rot. Bonds4

About [1-(2-methylpropylsulfonyl)cyclohexyl]methanol

[1-(2-methylpropylsulfonyl)cyclohexyl]methanol (PubChem CID 58814953) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is [1-(2-methylpropylsulfonyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropylsulfonyl)cyclohexyl]methanol
PubChem CID58814953
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name[1-(2-methylpropylsulfonyl)cyclohexyl]methanol
SMILESCC(C)CS(=O)(=O)C1(CO)CCCCC1
InChIInChI=1S/C11H22O3S/c1-10(2)8-15(13,14)11(9-12)6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKeyVWZZZUZYNKVHLL-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylsulfonyl)cyclohexyl]methanol?
The IUPAC name of [1-(2-methylpropylsulfonyl)cyclohexyl]methanol (CID 58814953) is [1-(2-methylpropylsulfonyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-methylpropylsulfonyl)cyclohexyl]methanol?
The canonical SMILES for [1-(2-methylpropylsulfonyl)cyclohexyl]methanol is CC(C)CS(=O)(=O)C1(CO)CCCCC1.
What is the InChIKey of [1-(2-methylpropylsulfonyl)cyclohexyl]methanol?
The InChIKey is VWZZZUZYNKVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-10(2)8-15(13,14)11(9-12)6-4-3-5-7-11/h10,12H,3-9H2,1-2H3.
What are the key properties of [1-(2-methylpropylsulfonyl)cyclohexyl]methanol?
[1-(2-methylpropylsulfonyl)cyclohexyl]methanol has a molecular weight of 234.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylsulfonyl)cyclohexyl]methanol is sourced from PubChem (CID 58814953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).