1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
Basic information
- CAS
5463-80-9- Standard SMILES
CCC(CC)C(=O)OC(C)COc1ccc(C(C)(C)C)cc1- InChIKey
MLQDJKDUWLFKBB-UHFFFAOYSA-N- Molecular formula
- C19H30O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.21949481
Names & identifiers
- Preferred name
- 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
- IUPAC
- 1-(4-tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
- English name
- 1-(4-tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
- Molecular formula
- C19H30O3
- Molecular weight
- 306.44
Names & synonyms
1-(4-tert-butylphenoxy)propan-2-yl 2-ethylbutanoate5463-80-9NSC21769DTXSID20281470NSC 21769NSC-21769Butanoic acid, 2-ethyl-, 2-[4-(1,1-dimethylethyl)phenoxy]-1-methylethyl ester
Database identifiers
- CAS
5463-80-9- PubChem CID
- 228673
- DTXSID
DTXSID20281470
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…