4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one

C16H24OS — CID 63774196

IUPAC4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)C(CCc2cccs2)C1
InChIInChI=1S/C16H24OS/c1-16(2,3)13-7-9-15(17)12(11-13)6-8-14-5-4-10-18-14/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyHELKFEQMBDLILU-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.71
Rot. Bonds3

About 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one

4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one (PubChem CID 63774196) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
PubChem CID63774196
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)C(CCc2cccs2)C1
InChIInChI=1S/C16H24OS/c1-16(2,3)13-7-9-15(17)12(11-13)6-8-14-5-4-10-18-14/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyHELKFEQMBDLILU-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-one
CID 63400185
cis-(2S,4R)-4-tert-butyl-2-(hydroxymethyl)cyclohexan-1-one
CID 98617812
3-(2-thiophen-2-ylethyl)pyrrolidin-2-one
CID 104679380
2-[(2-bromophenyl)methyl]-4-tert-butylcyclohexan-1-one
CID 55186721
cis-(2R,4S)-4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
CID 1249355
4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one
CID 66364377
4-tert-butyl-2-(cyclopentylmethyl)cyclohexan-1-one
CID 63399146
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one (CID 63774196) is 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one is CC(C)(C)C1CCC(=O)C(CCc2cccs2)C1.
What is the InChIKey of 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
The InChIKey is HELKFEQMBDLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-16(2,3)13-7-9-15(17)12(11-13)6-8-14-5-4-10-18-14/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one?
4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one has a molecular weight of 264.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 63774196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).