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

C11H22O3S — CID 163594266

IUPAC4-(tert-butylsulfonylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)S(=O)(=O)CC1CCC(O)CC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyGSBCHQYWXVGOHX-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.75
Rot. Bonds2

About 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol

4-(tert-butylsulfonylmethyl)cyclohexan-1-ol (PubChem CID 163594266) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(tert-butylsulfonylmethyl)cyclohexan-1-ol
PubChem CID163594266
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-(tert-butylsulfonylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)S(=O)(=O)CC1CCC(O)CC1
InChIInChI=1S/C11H22O3S/c1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyGSBCHQYWXVGOHX-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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Related Compounds

1-(Ethylsulfonylmethyl)cyclohexan-1-ol
CID 97251290
1-Cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
CID 135080524
1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-ol
CID 105082591
1-(4,4-Difluorocyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 105101775
4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-ol
CID 105464114
1-(1,1-Dioxothian-4-yl)-1-fluoropropan-2-ol
CID 105464115
4-(1,1-Dioxothian-3-yl)-3-fluorobutan-2-ol
CID 105482103
4-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-ol
CID 105482104
1-(1,1-Dioxothian-3-yl)-1,1-difluoropropan-2-ol
CID 105485480
4-(1,1-Dioxothian-4-yl)-3,3-difluorobutan-2-ol
CID 105503718
1-(3,3-Difluorocyclohexyl)-4-methylsulfonylbutan-1-ol
CID 114215701

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol (CID 163594266) is 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol is CC(C)(C)S(=O)(=O)CC1CCC(O)CC1.
What is the InChIKey of 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
The InChIKey is GSBCHQYWXVGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol?
4-(tert-butylsulfonylmethyl)cyclohexan-1-ol 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 4-(tert-butylsulfonylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 163594266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).