1-(tert-butylsulfonylmethyl)cyclohexan-1-ol

C11H22O3S — CID 70321772

IUPAC1-(tert-butylsulfonylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)S(=O)(=O)CC1(O)CCCCC1
InChIInChI=1S/C11H22O3S/c1-10(2,3)15(13,14)9-11(12)7-5-4-6-8-11/h12H,4-9H2,1-3H3
InChIKeyFAPPQBDMSHSLJK-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.89
Rot. Bonds2

About 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol

1-(tert-butylsulfonylmethyl)cyclohexan-1-ol (PubChem CID 70321772) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(tert-butylsulfonylmethyl)cyclohexan-1-ol
PubChem CID70321772
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-(tert-butylsulfonylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)S(=O)(=O)CC1(O)CCCCC1
InChIInChI=1S/C11H22O3S/c1-10(2,3)15(13,14)9-11(12)7-5-4-6-8-11/h12H,4-9H2,1-3H3
InChIKeyFAPPQBDMSHSLJK-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol (CID 70321772) is 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol is CC(C)(C)S(=O)(=O)CC1(O)CCCCC1.
What is the InChIKey of 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
The InChIKey is FAPPQBDMSHSLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-10(2,3)15(13,14)9-11(12)7-5-4-6-8-11/h12H,4-9H2,1-3H3.
What are the key properties of 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
1-(tert-butylsulfonylmethyl)cyclohexan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 70321772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).