Coibacin C
Basic information
- Standard SMILES
C/C(=C\Cl)C/C=C/C=C/CC[C@@H]1CC=CC(=O)O1- InChIKey
CEOONFMQXSOFRK-DTSYYBRBSA-N- Molecular formula
- C15H19ClO2
- Average molar mass
- 266.76 g/mol
- Monoisotopic mass
- 266.1073575
Overview
Coibacin C is a pyranone.
Names & identifiers
- Preferred name
- Coibacin C
- IUPAC
- (2R)-2-[(3E,5E,8E)-9-chloro-8-methylnona-3,5,8-trienyl]-2,3-dihydropyran-6-one
Names & synonyms
Coibacin C(2R)-2-[(3E,5E,8E)-9-chloro-8-methylnona-3,5,8-trienyl]-2,3-dihydropyran-6-one(2R)-2-((3E,5E,8E)-9-chloro-8-methylnona-3,5,8-trienyl)-2,3-dihydropyran-6-oneRefChem:127424CHEBI:221539DTXSID901046820
Database identifiers
- PubChem CID
- 102452153
- DTXSID
DTXSID901046820- ChEBI
CHEBI:221539- Nikkaji
- J3.090.969K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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