Basic information
- CAS
821015-75-2- Standard SMILES
CCCCCCOC(=O)CCCC(=O)OCCCCCCO- InChIKey
YXDLREMVDPVFBI-UHFFFAOYSA-N- Molecular formula
- C17H32O5
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.22497412
Names & identifiers
- Preferred name
- Hexyl 6-hydroxyhexyl pentanedioate
- IUPAC
- 1-O-hexyl 5-O-(6-hydroxyhexyl) pentanedioate
Names & synonyms
DTXSID40839270Hexyl 6-hydroxyhexyl pentanedioate821015-75-2
Database identifiers
- CAS
821015-75-2- PubChem CID
- 71420060
- DTXSID
DTXSID40839270
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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