[4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol

C15H30O3S — CID 66024149

IUPAC[4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol
SMILESCCS(=O)(=O)CCC1(CO)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30O3S/c1-5-19(17,18)11-10-15(12-16)8-6-13(7-9-15)14(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyJNUFMFLRIBESQK-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.03
Rot. Bonds5

About [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol

[4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol (PubChem CID 66024149) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol
PubChem CID66024149
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name[4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol
SMILESCCS(=O)(=O)CCC1(CO)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30O3S/c1-5-19(17,18)11-10-15(12-16)8-6-13(7-9-15)14(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyJNUFMFLRIBESQK-UHFFFAOYSA-N
XLogP3.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,3-Difluorobutylsulfonylmethyl)cyclohexyl]methanol
CID 59378323
4-Ethylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101851
1-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 20044168
(4-Methyl-4-methylsulfonylcyclohexyl)methanol
CID 21048976
4-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 57081542
[1-(2-Methylpropylsulfonyl)cyclohexyl]methanol
CID 58814953
Cyclohexyl(methylsulfonyl)methanol
CID 67465606
2-Methyl-3-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 69095318
2-(6,6-Dimethyl-2-bicyclo[3.1.1]heptanyl)-1-methylsulfonylethanol
CID 69476426
2-(2-Butylsulfonylpropan-2-yl)cyclohexan-1-ol
CID 70093348
(5-Methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol
CID 70672788
(1-Ethylsulfonylcyclohexyl)methanol
CID 70673023

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol?
The IUPAC name of [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol (CID 66024149) is [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol?
The canonical SMILES for [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol is CCS(=O)(=O)CCC1(CO)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol?
The InChIKey is JNUFMFLRIBESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-5-19(17,18)11-10-15(12-16)8-6-13(7-9-15)14(2,3)4/h13,16H,5-12H2,1-4H3.
What are the key properties of [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol?
[4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol has a molecular weight of 290.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol is sourced from PubChem (CID 66024149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).