1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol

C11H22O3S — CID 115643070

IUPAC1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol
SMILESCC1CCC(C(O)CS(C)(=O)=O)CC1C
InChIInChI=1S/C11H22O3S/c1-8-4-5-10(6-9(8)2)11(12)7-15(3,13)14/h8-12H,4-7H2,1-3H3
InChIKeyXQYPBCGIVUUABX-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.46
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol

1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol (PubChem CID 115643070) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol
PubChem CID115643070
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol
SMILESCC1CCC(C(O)CS(C)(=O)=O)CC1C
InChIInChI=1S/C11H22O3S/c1-8-4-5-10(6-9(8)2)11(12)7-15(3,13)14/h8-12H,4-7H2,1-3H3
InChIKeyXQYPBCGIVUUABX-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]hexane-1-sulfonyl fluoride
CID 54477023
4-Methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082569
4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082592
4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082645
4-Ethylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101751
4-Ethylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101776
4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101851
3-Methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 114983827
3-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 114983840
3-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 114983873
(7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115041494
1-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 20044168

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol (CID 115643070) is 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol is CC1CCC(C(O)CS(C)(=O)=O)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol?
The InChIKey is XQYPBCGIVUUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-8-4-5-10(6-9(8)2)11(12)7-15(3,13)14/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol?
1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol has a molecular weight of 234.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-methylsulfonylethanol is sourced from PubChem (CID 115643070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).