Basic information
- CAS
63689-58-7- Standard SMILES
O=C1COCC(=O)OCCOCCOCCO1- InChIKey
VZQIFKKNEBHXJT-UHFFFAOYSA-N- Molecular formula
- C10H16O7
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.08960285
Names & identifiers
- Preferred name
- 1,4,7,10,13-Pentaoxacyclopentadecane-2,6-dione
- IUPAC
- 1,4,7,10,13-pentaoxacyclopentadecane-2,6-dione
- English name
- 2,6-DIKETO-15-CROWN-5
- Molecular formula
- C10H16O7
- Molecular weight
- 248.23
Names & synonyms
1,4,7,10,13-pentaoxacyclopentadecane-2,6-dione63689-58-7DTXSID40315847RefChem:219889DTXCID30266970NSC297856NSC-2978562,6-DIKETO-15-CROWN-5
Database identifiers
- CAS
63689-58-7- PubChem CID
- 326435
- DTXSID
DTXSID40315847- Nikkaji
- J893.573D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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