4,4-Diethoxy-2-ethoxycarbonyl-3-[3-(2-ethylbutoxy)-4-methoxyphenyl]butyric acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(c1ccc(OC)c(OCC(CC)CC)c1)C(OCC)OCC- InChIKey
AQRVQTSWUCUWLZ-UHFFFAOYSA-N- Molecular formula
- C26H42O8
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- 4,4-Diethoxy-2-ethoxycarbonyl-3-[3-(2-ethylbutoxy)-4-methoxyphenyl]butyric acid ethyl ester
- IUPAC
- diethyl 2-[2,2-diethoxy-1-[3-(2-ethylbutoxy)-4-methoxyphenyl]ethyl]propanedioate
Names & synonyms
SCHEMBL6229711AQRVQTSWUCUWLZ-UHFFFAOYSA-N4,4-diethoxy-2-ethoxycarbonyl-3-[3-(2-ethylbutoxy)-4-methoxyphenyl]butyric acid ethyl ester
Database identifiers
- PubChem CID
- 21994476
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 541
Related reactions
1 records
Compound notes
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