5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde

C14H18O2S — CID 82382673

IUPAC5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde
SMILESCc1sc(C(=O)CC2CCCCC2)cc1C=O
InChIInChI=1S/C14H18O2S/c1-10-12(9-15)8-14(17-10)13(16)7-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyQJDQBDBCGQFMRS-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.02
Rot. Bonds4

About 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde

5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde (PubChem CID 82382673) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde
PubChem CID82382673
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde
SMILESCc1sc(C(=O)CC2CCCCC2)cc1C=O
InChIInChI=1S/C14H18O2S/c1-10-12(9-15)8-14(17-10)13(16)7-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyQJDQBDBCGQFMRS-UHFFFAOYSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-cycloheptylethanone
CID 102826473
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
2-cyclopentyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114969345
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
CID 80531816
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclohexylethanone
CID 65279322
2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
CID 103168178
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone
CID 103162515
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 114969325
2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105102770
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
CID 106754594

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde?
The IUPAC name of 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde (CID 82382673) is 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde.
What is the SMILES notation for 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde?
The canonical SMILES for 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde is Cc1sc(C(=O)CC2CCCCC2)cc1C=O.
What is the InChIKey of 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde?
The InChIKey is QJDQBDBCGQFMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-10-12(9-15)8-14(17-10)13(16)7-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde?
5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde has a molecular weight of 250.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde is sourced from PubChem (CID 82382673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).