4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol

C14H22OS — CID 23567028

IUPAC4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(c2cccs2)CC1
InChIInChI=1S/C14H22OS/c1-13(2,3)11-6-8-14(15,9-7-11)12-5-4-10-16-12/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyOWGRZKUTRIIRHE-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.17
Rot. Bonds1

About 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol

4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 23567028) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol
PubChem CID23567028
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(c2cccs2)CC1
InChIInChI=1S/C14H22OS/c1-13(2,3)11-6-8-14(15,9-7-11)12-5-4-10-16-12/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyOWGRZKUTRIIRHE-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 49962344
2-Thiophen-2-yl-hexan-2-ol
CID 49962378
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CID 59318238
1-Cyclohexyl-1-thiophen-2-ylethanol
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol (CID 23567028) is 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol is CC(C)(C)C1CCC(O)(c2cccs2)CC1.
What is the InChIKey of 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is OWGRZKUTRIIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-13(2,3)11-6-8-14(15,9-7-11)12-5-4-10-16-12/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol?
4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 23567028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).