1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one

C17H26OS — CID 65402918

IUPAC1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
SMILESCC(C)(C)C1CCC(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C17H26OS/c1-17(2,3)15-7-5-14(6-8-15)16(18)9-4-13-10-11-19-12-13/h10-12,14-15H,4-9H2,1-3H3
InChIKeyFRORMBAIPAVTEK-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.10
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one

1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 65402918) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
PubChem CID65402918
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
SMILESCC(C)(C)C1CCC(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C17H26OS/c1-17(2,3)15-7-5-14(6-8-15)16(18)9-4-13-10-11-19-12-13/h10-12,14-15H,4-9H2,1-3H3
InChIKeyFRORMBAIPAVTEK-UHFFFAOYSA-N
XLogP5.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
CID 114795051
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
CID 116589205
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one (CID 65402918) is 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one is CC(C)(C)C1CCC(C(=O)CCc2ccsc2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is FRORMBAIPAVTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS/c1-17(2,3)15-7-5-14(6-8-15)16(18)9-4-13-10-11-19-12-13/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 278.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 65402918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).