1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one

C15H22OS — CID 65390404

IUPAC1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
SMILESCC1(C)CCC(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C15H22OS/c1-15(2)8-5-13(6-9-15)14(16)4-3-12-7-10-17-11-12/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyXESFGNKFUMOBLK-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.47
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one

1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 65390404) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
PubChem CID65390404
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
SMILESCC1(C)CCC(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C15H22OS/c1-15(2)8-5-13(6-9-15)14(16)4-3-12-7-10-17-11-12/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyXESFGNKFUMOBLK-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.47
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-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
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-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 103595167
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 116558832
1-[5-(aminomethyl)oxolan-2-yl]-3-thiophen-3-ylpropan-1-one
CID 116589205

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one (CID 65390404) is 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one is CC1(C)CCC(C(=O)CCc2ccsc2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is XESFGNKFUMOBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-15(2)8-5-13(6-9-15)14(16)4-3-12-7-10-17-11-12/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one?
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 250.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 65390404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).