2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol

C12H24O3S — CID 115808259

IUPAC2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol
SMILESCC1CCCC(C(O)C(C)(C)S(C)(=O)=O)C1
InChIInChI=1S/C12H24O3S/c1-9-6-5-7-10(8-9)11(13)12(2,3)16(4,14)15/h9-11,13H,5-8H2,1-4H3
InChIKeyHSFJITSSAFITKE-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol

2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol (PubChem CID 115808259) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol
PubChem CID115808259
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol
SMILESCC1CCCC(C(O)C(C)(C)S(C)(=O)=O)C1
InChIInChI=1S/C12H24O3S/c1-9-6-5-7-10(8-9)11(13)12(2,3)16(4,14)15/h9-11,13H,5-8H2,1-4H3
InChIKeyHSFJITSSAFITKE-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol
CID 115837892
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
2-ethyl-1-(3-methylcyclohexyl)butane-1,2-diol
CID 103449271
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
CID 79045834
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-one
CID 114976304
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
(1-ethylcyclopentyl)-(3-methylcyclohexyl)methanol
CID 115808264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol (CID 115808259) is 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol is CC1CCCC(C(O)C(C)(C)S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol?
The InChIKey is HSFJITSSAFITKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-9-6-5-7-10(8-9)11(13)12(2,3)16(4,14)15/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol?
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol has a molecular weight of 248.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115808259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).