1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol

C15H30O3S — CID 65401317

IUPAC1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol
SMILESCC(C)(C)C1CCC(C(O)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H30O3S/c1-15(2,3)13-9-7-12(8-10-13)14(16)6-5-11-19(4,17)18/h12-14,16H,5-11H2,1-4H3
InChIKeyWNVMITDUPNNLEY-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol

1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol (PubChem CID 65401317) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol
PubChem CID65401317
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol
SMILESCC(C)(C)C1CCC(C(O)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H30O3S/c1-15(2,3)13-9-7-12(8-10-13)14(16)6-5-11-19(4,17)18/h12-14,16H,5-11H2,1-4H3
InChIKeyWNVMITDUPNNLEY-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol (CID 65401317) is 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol is CC(C)(C)C1CCC(C(O)CCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is WNVMITDUPNNLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-15(2,3)13-9-7-12(8-10-13)14(16)6-5-11-19(4,17)18/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol?
1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 290.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 65401317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).