Butanedioic acid;decan-1-ol;bis(hexanedioic acid);hexan-1-ol;octan-1-ol
Basic information
- CAS
68989-90-2- Standard SMILES
CCCCCCCCCCO.CCCCCCCCO.CCCCCCO.O=C(O)CCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O- InChIKey
UVZHWTHWUHVFGR-UHFFFAOYSA-N- Molecular formula
- C40H80O15
- Average molar mass
- 801.1 g/mol
- Monoisotopic mass
- 800.54972184
Names & identifiers
- Preferred name
- Butanedioic acid;decan-1-ol;bis(hexanedioic acid);hexan-1-ol;octan-1-ol
- IUPAC
- butanedioic acid;decan-1-ol;bis(hexanedioic acid);hexan-1-ol;octan-1-ol
Database identifiers
- CAS
68989-90-2- PubChem CID
- 112220
Properties
Computed structural properties
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 31
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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