Basic information
- CAS
5453-35-0- Standard SMILES
CCCCCCCCCC(=O)OCCCC(CCCOC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC- InChIKey
QFUWTJCNCQCYAM-UHFFFAOYSA-N- Molecular formula
- C37H70O6
- Average molar mass
- 610.9 g/mol
- Monoisotopic mass
- 610.51723995
Names & identifiers
- Preferred name
- Heptane-1,4,7-triyl tridecanoate
- IUPAC
- 4,7-di(decanoyloxy)heptyl decanoate
Names & synonyms
5453-35-0heptane-1,4,7-triyl tridecanoateNSC18576DTXSID40280788NSC-18576
Database identifiers
- CAS
5453-35-0- PubChem CID
- 227232
- DTXSID
DTXSID40280788
Properties
Computed structural properties
- XLogP
- 13.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 36
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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