Basic information
- CAS
63716-18-7- Standard SMILES
CCOCC(COc1ccccc1)OC(=O)CCC(=O)O- InChIKey
ULTOURVNSVTPNP-UHFFFAOYSA-N- Molecular formula
- C15H20O6
- Average molar mass
- 296.31 g/mol
- Monoisotopic mass
- 296.12598835
Names & identifiers
- Preferred name
- 4-(1-Ethoxy-3-phenoxypropan-2-yl)oxy-4-oxobutanoic acid
- IUPAC
- 4-(1-ethoxy-3-phenoxypropan-2-yl)oxy-4-oxobutanoic acid
- English name
- Butanedioic acid 1-[1-(ethoxymethyl)-2-phenoxyethyl] ester
- Molecular formula
- C15H20O6
- Molecular weight
- 296.32
Names & synonyms
63716-18-74-(1-ethoxy-3-phenoxypropan-2-yl)oxy-4-oxobutanoic acidDTXSID102754694-[(1-ethoxy-3-phenoxypropan-2-yl)oxy]-4-oxobutanoic acidDB-318851Butanedioic acid 1-[1-(ethoxymethyl)-2-phenoxyethyl ] esterButanedioic acid 1-[1-(ethoxymethyl)-2-phenoxyethyl] ester
Database identifiers
- CAS
63716-18-7- PubChem CID
- 44604
- DTXSID
DTXSID10275469- Nikkaji
- J64.620B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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