4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate
Basic information
- CAS
5454-16-0- Standard SMILES
CCC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1- InChIKey
OOOVJAIDOOWQFJ-UHFFFAOYSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Names & identifiers
- Preferred name
- 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate
- IUPAC
- [4-(2,4,4-trimethylpentan-2-yl)phenyl] propanoate
Names & synonyms
5454-16-04-(2,4,4-trimethylpentan-2-yl)phenyl propanoate4-(2,4,4-Trimethylpentan-2-yl)phenyl propionateNSC23070DTXSID80281794NSC-23070
Database identifiers
- CAS
5454-16-0- PubChem CID
- 229394
- DTXSID
DTXSID80281794
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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