Basic information
- CAS
68876-87-9- Standard SMILES
CCC(CO)CCCCOC(=O)CCCCCCC(=O)OCCCCC(CC)CO- InChIKey
NYTPTDFCOOWIGR-UHFFFAOYSA-N- Molecular formula
- C24H46O6
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.32943918
Names & identifiers
- Preferred name
- 1-Hexanol, 2-ethyl-, C5-12 dicarboxylates (2:1)
- IUPAC
- bis[5-(hydroxymethyl)heptyl] octanedioate
Names & synonyms
1-Hexanol, 2-ethyl-, C5-12 dicarboxylates (2:1)DTXSID00874021NYTPTDFCOOWIGR-UHFFFAOYSA-Nbis[5-(hydroxymethyl)heptyl] octanedioateNS00062798
Database identifiers
- CAS
68876-87-9- PubChem CID
- 22833366
- DTXSID
DTXSID00874021
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 23
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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