1-[3,3-Di(ethoxycarbonyl)propyl]-4-methoxymethylbenzene
Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccc(COC)cc1)C(=O)OCC- InChIKey
NFDSSGAPMQSFFY-UHFFFAOYSA-N- Molecular formula
- C17H24O5
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.16237386
Names & identifiers
- Preferred name
- 1-[3,3-Di(ethoxycarbonyl)propyl]-4-methoxymethylbenzene
- IUPAC
- diethyl 2-[2-[4-(methoxymethyl)phenyl]ethyl]propanedioate
Names & synonyms
SCHEMBL10758873NFDSSGAPMQSFFY-UHFFFAOYSA-N1-[3,3-di(ethoxycarbonyl)propyl]-4-methoxymethylbenzene
Database identifiers
- PubChem CID
- 20197602
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Related reactions
3 records
Compound notes
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