[4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol

C15H30O3S — CID 66024580

IUPAC[4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H30O3S/c1-14(2,3)13-6-9-15(12-16,10-7-13)8-5-11-19(4,17)18/h13,16H,5-12H2,1-4H3
InChIKeySYBUZDDRSSWYMB-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.03
Rot. Bonds5

About [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol

[4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol (PubChem CID 66024580) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
PubChem CID66024580
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name[4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(CCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H30O3S/c1-14(2,3)13-6-9-15(12-16,10-7-13)8-5-11-19(4,17)18/h13,16H,5-12H2,1-4H3
InChIKeySYBUZDDRSSWYMB-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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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
The IUPAC name of [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol (CID 66024580) is [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol.
What is the SMILES notation for [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
The canonical SMILES for [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol is CC(C)(C)C1CCC(CO)(CCCS(C)(=O)=O)CC1.
What is the InChIKey of [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
The InChIKey is SYBUZDDRSSWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-14(2,3)13-6-9-15(12-16,10-7-13)8-5-11-19(4,17)18/h13,16H,5-12H2,1-4H3.
What are the key properties of [4-tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol?
[4-tert-butyl-1-(3-methylsulfonylpropyl)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-(3-methylsulfonylpropyl)cyclohexyl]methanol is sourced from PubChem (CID 66024580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).