3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol

C12H24O3S — CID 65149018

IUPAC3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C12H24O3S/c1-11(2)6-4-7-12(13,10-11)8-5-9-16(3,14)15/h13H,4-10H2,1-3H3
InChIKeyOPBFYQCGGMAKIE-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.14
Rot. Bonds4

About 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol

3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol (PubChem CID 65149018) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
PubChem CID65149018
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C12H24O3S/c1-11(2)6-4-7-12(13,10-11)8-5-9-16(3,14)15/h13H,4-10H2,1-3H3
InChIKeyOPBFYQCGGMAKIE-UHFFFAOYSA-N
XLogP2.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153648
1-(2-Methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153754
1-(3-Ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153756
1-(Methylsulfonylmethyl)cyclohexan-1-ol
CID 122518729
4-(2,2-Dimethylpentyl)-1,1-dioxothian-4-ol
CID 126656791
7-Tert-butyl-2,2-dioxo-2lambda6-thiaspiro[3.5]nonan-7-ol
CID 156353141
7-Methyl-2,2-dioxo-2lambda6-thiaspiro[3.5]nonan-7-ol
CID 164564331
1-(2-Methylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
CID 62708268
1-(3-Methylsulfonylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 63192610
5-Methyl-1-(3-methylsulfonylpropyl)-2-propan-2-ylcyclohexan-1-ol
CID 65142624
5-Methyl-1-(2-methylsulfonylethyl)-2-propan-2-ylcyclohexan-1-ol
CID 65142693
1-(3-Methylsulfonylpropyl)cyclohexan-1-ol
CID 65142724

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol (CID 65149018) is 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol is CC1(C)CCCC(O)(CCCS(C)(=O)=O)C1.
What is the InChIKey of 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The InChIKey is OPBFYQCGGMAKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-11(2)6-4-7-12(13,10-11)8-5-9-16(3,14)15/h13H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol has a molecular weight of 248.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 65149018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).