4-Octylcyclopentane-1,3-dione
Basic information
- CAS
126624-26-8- Standard SMILES
CCCCCCCCC1CC(=O)CC1=O- InChIKey
SKPOJVSKGJMOJV-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Overview
Tsibulin 1 is a beta-diketone.
Names & identifiers
- Preferred name
- 4-Octylcyclopentane-1,3-dione
- IUPAC
- 4-octylcyclopentane-1,3-dione
- English name
- 4-Octyl-1,3-cyclopentanedione
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
4-octylcyclopentane-1,3-dioneTsibulin 1126624-26-84-Octyl-1,3-cyclopentanedione1,3-Cycopentanedione, 4-octyl-5-octylcyclopenta-1,3-dioneSCHEMBL2812341DTXSID50925638CHEBI:174070Tsibulin 1d4-octyl-cyclopenta-1,3-dione1,3-Cyclopentanedione, 4-octyl- (9CI)
Database identifiers
- CAS
126624-26-8- PubChem CID
- 180441
- DTXSID
DTXSID50925638- ChEBI
CHEBI:174070- Nikkaji
- J389.830J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Tsibulin 1 is a beta-diketone.
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Related reactions
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Compound notes
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