Basic information
- CAS
5334-10-1- Standard SMILES
CC(=O)OCCCC(CCCOC(C)=O)OC(C)=O- InChIKey
MXYSYQUKHUKAPJ-UHFFFAOYSA-N- Molecular formula
- C13H22O6
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.14163842
Names & identifiers
- Preferred name
- Heptane-1,4,7-triyl triacetate
- IUPAC
- 4,7-diacetyloxyheptyl acetate
Names & synonyms
heptane-1,4,7-triyl triacetate5334-10-1DTXSID80277450RefChem:347230DTXCID20228608NSC2388NSC-23881,7-HEPTANETRIOL, TRIACETATEE
Database identifiers
- CAS
5334-10-1- PubChem CID
- 220108
- DTXSID
DTXSID80277450
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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