Basic information
- CAS
89208-22-0- Standard SMILES
CC(C)C(CCC(=O)OCCCCCCO)CC(=O)OCCCCCCO- InChIKey
PQRAUOXFPLGKEC-UHFFFAOYSA-N- Molecular formula
- C21H40O6
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.28248899
Names & identifiers
- Preferred name
- Bis(6-hydroxyhexyl) 3-(propan-2-yl)hexanedioate
- IUPAC
- bis(6-hydroxyhexyl) 3-propan-2-ylhexanedioate
Names & synonyms
89208-22-0DTXSID80752378Bis(6-hydroxyhexyl) 3-(propan-2-yl)hexanedioate
Database identifiers
- CAS
89208-22-0- PubChem CID
- 71322727
- DTXSID
DTXSID80752378
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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