1-(2-Butan-2-ylphenoxy)propan-2-yl 2-ethylbutanoate
Basic information
- CAS
5460-44-6- Standard SMILES
CCC(CC)C(=O)OC(C)COc1ccccc1C(C)CC- InChIKey
WGZKDESZAQKCCI-UHFFFAOYSA-N- Molecular formula
- C19H30O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.21949481
Names & identifiers
- Preferred name
- 1-(2-Butan-2-ylphenoxy)propan-2-yl 2-ethylbutanoate
- IUPAC
- 1-(2-butan-2-ylphenoxy)propan-2-yl 2-ethylbutanoate
Names & synonyms
5460-44-61-(2-butan-2-ylphenoxy)propan-2-yl 2-ethylbutanoate1-[2-(butan-2-yl)phenoxy]propan-2-yl 2-ethylbutanoateNSC21767DTXSID50281468NSC-21767
Database identifiers
- CAS
5460-44-6- PubChem CID
- 228671
- DTXSID
DTXSID50281468
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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