Basic information
- CAS
132752-18-2- Standard SMILES
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCC- InChIKey
XRJCABJFBJQLIS-UHFFFAOYSA-N- Molecular formula
- C20H38O4
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.27700969
Names & identifiers
- Preferred name
- Hexanedioic acid, hexyl octyl ester
- IUPAC
- 1-O-hexyl 6-O-octyl hexanedioate
Names & synonyms
Hexanedioic acid, hexyl octyl ester65185-85-5hexyl octyl hexanedioateAdipic acid, hexyl octyl esterSCHEMBL28305968DTXSID70867127
Database identifiers
- CAS
132752-18-2、65185-85-5- PubChem CID
- 86402
- DTXSID
DTXSID70867127
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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