2-Butyryl-5-[2-(ethylthio)propyl]-1,3-cyclohexanedione

HCID 2834754

Basic information

Standard SMILES
CCCC(=O)C1C(=O)CC(CC(C)SCC)CC1=O
InChIKey
CNIMVLCIILGGIX-UHFFFAOYSA-N
Molecular formula
C15H24O3S
Average molar mass
284.4 g/mol

Names & identifiers

Preferred name
2-Butyryl-5-[2-(ethylthio)propyl]-1,3-cyclohexanedione
IUPAC
2-butanoyl-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione

Names & synonyms

2-butyryl-5-[2-(ethylthio)propyl]-1,3-cyclohexanedioneSMR000137198Oprea1_469700MLS000532259CHEMBL1504944SCHEMBL10791874CNIMVLCIILGGIX-UHFFFAOYSA-NHMS2484J24SR-01000199215SR-01000199215-12-butyryl-5-(2-ethylthiopropyl)cyclohexane-1,3-dione2-butyryl-5-(2-ethylthiopropyl) cyclohexane-1,3-dione
Show more names
2-butyryl-5-(2-ethylthiopropyl)-cyclohexane-1,3-dione

Database identifiers

PubChem CID
2834754
ChEMBL
CHEMBL1504944

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
76.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
19

Related reactions

4 records

Compound notes

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