Basic information
- CAS
29444-87-9- Standard SMILES
CC=CC#CC#CC=CCOC(=O)CC(C)C- InChIKey
FPIBENZMUTVCEK-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Overview
AGN-PC-036DUE has been reported in Osmitopsis asteriscoides with data available.
Names & identifiers
- Preferred name
- Agn-PC-036due
- IUPAC
- deca-2,8-dien-4,6-diynyl 3-methylbutanoate
Names & synonyms
AGN-PC-036DUESCHEMBL28223205DTXSID60336059Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate29444-87-9
Database identifiers
- CAS
29444-87-9- PubChem CID
- 528757
- DTXSID
DTXSID60336059
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…