Basic information
- CAS
20270-50-2- Standard SMILES
CC(CCOC(=O)CCCCC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C- InChIKey
ISQGOXKDLGVOKQ-UHFFFAOYSA-N- Molecular formula
- C24H46O4
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.33960994
Names & identifiers
- Preferred name
- Bis(3,5,5-trimethylhexyl) adipate
- IUPAC
- bis(3,5,5-trimethylhexyl) hexanedioate
- English name
- bis(3,5,5-trimethylhexyl) adipate
- Molecular formula
- C24H46O4
- Molecular weight
- 398.62
Names & synonyms
Bis(3,5,5-trimethylhexyl) adipate20270-50-2bis(3,5,5-trimethylhexyl) hexanedioateEINECS 243-663-3bis-(3,5,5-Trimethylhexyl) adipateSCHEMBL2894186DTXSID90942389ISQGOXKDLGVOKQ-UHFFFAOYSA-NNS00051240Hexanedioic acid bis(3,5,5-trimethylhexyl) esterHexanedioic acid, 1,6-bis(3,5,5-trimethylhexyl) ester
Database identifiers
- CAS
20270-50-2- PubChem CID
- 89301
- DTXSID
DTXSID90942389- EC Number
- 243-663-3
- Nikkaji
- J280.502B
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 401
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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