Basic information
- CAS
89208-23-1- Standard SMILES
CC(C)(C)C(CCC(=O)OCCCCCCO)CC(=O)OCCCCCCO- InChIKey
XHYLCRYDEUNFBU-UHFFFAOYSA-N- Molecular formula
- C22H42O6
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.29813906
Names & identifiers
- Preferred name
- Bis(6-hydroxyhexyl) 3-tert-butylhexanedioate
- IUPAC
- bis(6-hydroxyhexyl) 3-tert-butylhexanedioate
Names & synonyms
89208-23-1DTXSID40752379Bis(6-hydroxyhexyl) 3-tert-butylhexanedioate
Database identifiers
- CAS
89208-23-1- PubChem CID
- 71322728
- DTXSID
DTXSID40752379
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 20
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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