5-{2-[(Ethoxycarbonyl)oxy]-1-phenylpropoxy}-2,4-dimethyl-5-oxopentanoate
Basic information
- CAS
89207-81-8- Standard SMILES
CCOC(=O)OC(C)C(OC(=O)C(C)CC(C)C(=O)[O-])c1ccccc1- InChIKey
MBZYRZFIEGLVAL-UHFFFAOYSA-M- Molecular formula
- C19H25O7-
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.16002813
Names & identifiers
- Preferred name
- 5-{2-[(Ethoxycarbonyl)oxy]-1-phenylpropoxy}-2,4-dimethyl-5-oxopentanoate
- IUPAC
- 5-(2-ethoxycarbonyloxy-1-phenylpropoxy)-2,4-dimethyl-5-oxopentanoate
Names & synonyms
89207-81-8DTXSID007523705-{2-[(Ethoxycarbonyl)oxy]-1-phenylpropoxy}-2,4-dimethyl-5-oxopentanoate
Database identifiers
- CAS
89207-81-8- PubChem CID
- 71322718
- DTXSID
DTXSID00752370
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- -1
- Complexity
- 465
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Compound notes
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