Basic information
- CAS
6168-64-5- Standard SMILES
CC1CCC2(CC1=O)C(C)CC(=O)C2C(C)C- InChIKey
AGUISGUERLMHFF-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Overview
Epiacorone is a cyclic ketone.
Names & identifiers
- Preferred name
- Epiacorone
- IUPAC
- 1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
Names & synonyms
EpiacoroneIsoacorone4,8-dimethyl-1-(propan-2-yl)spiro[4.5]decane-2,7-dioneNSC-147746Isoacorone, (-)-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dioneSCHEMBL30105609CHEBI:173702NSC147746NSC241227NSC-241227NS00044236
Show more names
Q67879933Spiro[4,7-dione, 1-isopropyl-4,8-dimethyl-, (1R,4S,5S,8S)-(-)-Spiro[4.5]decane-2, 4,8-dimethyl-1-(1-methylethyl)-, [1R-(1.alpha.,4.beta.,5.beta.,8S*)]-
Database identifiers
- CAS
6168-64-5- PubChem CID
- 98934
- ChEBI
CHEBI:173702
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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