Dihexyl 2-hydroxybutanedioate
Basic information
- CAS
16502-94-6- Standard SMILES
CCCCCCOC(=O)CC(O)C(=O)OCCCCCC- InChIKey
BZSQLGKFRMHENH-UHFFFAOYSA-N- Molecular formula
- C16H30O5
- Average molar mass
- 302.41 g/mol
- Monoisotopic mass
- 302.20932405
Names & identifiers
- Preferred name
- Dihexyl 2-hydroxybutanedioate
- IUPAC
- dihexyl 2-hydroxybutanedioate
Names & synonyms
16502-94-6Dihexyl 2-hydroxybutanedioatedihexyl malateMalic acid, dihexyl esterdihexyl-dl-malateSCHEMBL2231096DTXSID00937024BZSQLGKFRMHENH-UHFFFAOYSA-N
Database identifiers
- CAS
16502-94-6- PubChem CID
- 177752
- DTXSID
DTXSID00937024- Nikkaji
- J512.407G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 278
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Related reactions
2 records
Compound notes
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