1-(4-Butan-2-ylphenoxy)propan-2-yl propanoate
Basic information
- CAS
5436-96-4- Standard SMILES
CCC(=O)OC(C)COc1ccc(C(C)CC)cc1- InChIKey
CFRSYUAGQLXQKM-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Names & identifiers
- Preferred name
- 1-(4-Butan-2-ylphenoxy)propan-2-yl propanoate
- IUPAC
- 1-(4-butan-2-ylphenoxy)propan-2-yl propanoate
Names & synonyms
1-(4-butan-2-ylphenoxy)propan-2-yl propanoate5436-96-41-[4-(butan-2-yl)phenoxy]propan-2-yl propanoateNSC21798DTXSID10969457NSC-21798DS-008047
Database identifiers
- CAS
5436-96-4- PubChem CID
- 228699
- DTXSID
DTXSID10969457
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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