Octane-1,4,7-triyl tripropanoate
Basic information
- CAS
5451-28-5- Standard SMILES
CCC(=O)OCCCC(CCC(C)OC(=O)CC)OC(=O)CC- InChIKey
GWFJIGMSCAUYFP-UHFFFAOYSA-N- Molecular formula
- C17H30O6
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.20423867
Names & identifiers
- Preferred name
- Octane-1,4,7-triyl tripropanoate
- IUPAC
- 4,7-di(propanoyloxy)octyl propanoate
Names & synonyms
5451-28-5octane-1,4,7-triyl tripropanoateNSC18549DTXSID20280766NSC-18549
Database identifiers
- CAS
5451-28-5- PubChem CID
- 227205
- DTXSID
DTXSID20280766
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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