4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol

C11H22O3S — CID 63196199

IUPAC4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCC1CCC(O)C(CCCS(C)(=O)=O)C1
InChIInChI=1S/C11H22O3S/c1-9-5-6-11(12)10(8-9)4-3-7-15(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyBZAMNMIJBQAVNU-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.61
Rot. Bonds4

About 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol

4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol (PubChem CID 63196199) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
PubChem CID63196199
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCC1CCC(O)C(CCCS(C)(=O)=O)C1
InChIInChI=1S/C11H22O3S/c1-9-5-6-11(12)10(8-9)4-3-7-15(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyBZAMNMIJBQAVNU-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol (CID 63196199) is 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol is CC1CCC(O)C(CCCS(C)(=O)=O)C1.
What is the InChIKey of 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The InChIKey is BZAMNMIJBQAVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-9-5-6-11(12)10(8-9)4-3-7-15(2,13)14/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol?
4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 63196199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).