9-(Tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate
Basic information
- CAS
5453-34-9- Standard SMILES
CCCCCCCC(=O)OCCCC(CCC(CCC1CCCO1)OC(=O)CCCCCCC)OC(=O)CCCCCCC- InChIKey
HVHIBEABFIOHNU-UHFFFAOYSA-N- Molecular formula
- C37H68O7
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 624.4965045
Names & identifiers
- Preferred name
- 9-(Tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate
- IUPAC
- [4,7-di(octanoyloxy)-9-(oxolan-2-yl)nonyl] octanoate
Names & synonyms
9-(tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate5453-34-9DTXSID80280787RefChem:312895DTXCID30231941NSC18575NSC-185759-(Oxolan-2-yl)nonane-1,4,7-triyl trioctanoate3,6,9-tris-(octanoyloxy)-1-tetrahydro-furan-2-yl-nonane
Database identifiers
- CAS
5453-34-9- PubChem CID
- 227231
- DTXSID
DTXSID80280787
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 33
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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