(2-tert-butylsulfonylcyclohexyl)methanol

C11H22O3S — CID 167359986

IUPAC(2-tert-butylsulfonylcyclohexyl)methanol
SMILESCC(C)(C)S(=O)(=O)C1CCCCC1CO
InChIInChI=1S/C11H22O3S/c1-11(2,3)15(13,14)10-7-5-4-6-9(10)8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyUMSPZSCGWWUIRE-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.75
Rot. Bonds2

About (2-tert-butylsulfonylcyclohexyl)methanol

(2-tert-butylsulfonylcyclohexyl)methanol (PubChem CID 167359986) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is (2-tert-butylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-tert-butylsulfonylcyclohexyl)methanol
PubChem CID167359986
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name(2-tert-butylsulfonylcyclohexyl)methanol
SMILESCC(C)(C)S(=O)(=O)C1CCCCC1CO
InChIInChI=1S/C11H22O3S/c1-11(2,3)15(13,14)10-7-5-4-6-9(10)8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyUMSPZSCGWWUIRE-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (2-tert-butylsulfonylcyclohexyl)methanol?
The IUPAC name of (2-tert-butylsulfonylcyclohexyl)methanol (CID 167359986) is (2-tert-butylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (2-tert-butylsulfonylcyclohexyl)methanol?
The canonical SMILES for (2-tert-butylsulfonylcyclohexyl)methanol is CC(C)(C)S(=O)(=O)C1CCCCC1CO.
What is the InChIKey of (2-tert-butylsulfonylcyclohexyl)methanol?
The InChIKey is UMSPZSCGWWUIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-11(2,3)15(13,14)10-7-5-4-6-9(10)8-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of (2-tert-butylsulfonylcyclohexyl)methanol?
(2-tert-butylsulfonylcyclohexyl)methanol has a molecular weight of 234.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 167359986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).