Bis[4-(oxolan-2-yl)butan-2-yl] hexanedioate
Basic information
- CAS
5453-25-8- Standard SMILES
CC(CCC1CCCO1)OC(=O)CCCCC(=O)OC(C)CCC1CCCO1- InChIKey
WTKXGQXWHJXYJA-UHFFFAOYSA-N- Molecular formula
- C22H38O6
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.26683893
Names & identifiers
- Preferred name
- Bis[4-(oxolan-2-yl)butan-2-yl] hexanedioate
- IUPAC
- bis[4-(oxolan-2-yl)butan-2-yl] hexanedioate
Names & synonyms
5453-25-8bis[4-(oxolan-2-yl)butan-2-yl] hexanedioateNSC18562DTXSID90280778NSC-18562
Database identifiers
- CAS
5453-25-8- PubChem CID
- 227218
- DTXSID
DTXSID90280778
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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