Basic information
- CAS
100482-26-6- Standard SMILES
CCCc1cc(C(=O)OCC)cc(CCC)c1OCC- InChIKey
BXARXLWSBTVJNV-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.18819469
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dipropyl-4-ethoxy-, ethyl ester
- IUPAC
- ethyl 4-ethoxy-3,5-dipropylbenzoate
Names & synonyms
Ethyl 4-ethoxy-3,5-dipropylbenzoate100482-26-6BRN 25907993,5-Dipropyl-4-ethoxybenzoic acid ethyl esterBENZOIC ACID, 3,5-DIPROPYL-4-ETHOXY-, ETHYL ESTERDTXSID30143318RefChem:327103DTXCID5065809Benzoic acid,4-ethoxy-3,5-dipropyl-, ethyl esterBenzoic acid, 4-ethoxy-3,5-dipropyl-, ethyl ester
Database identifiers
- CAS
100482-26-6- PubChem CID
- 57879
- DTXSID
DTXSID30143318- Nikkaji
- J83.384C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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