Basic information
- CAS
6316-32-1- Standard SMILES
CCCC(=O)Oc1ccc(C(C)(C)C)cc1C(C)c1ccccc1- InChIKey
XHNMDNGGVMGLOL-UHFFFAOYSA-N- Molecular formula
- C22H28O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.20893013
Names & identifiers
- Preferred name
- 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate
- IUPAC
- [4-tert-butyl-2-(1-phenylethyl)phenyl] butanoate
- English name
- [2-(1-phenylethyl)-4-tert-butyl-phenyl] butanoate
- Molecular formula
- C22H28O2
- Molecular weight
- 324.46
Names & synonyms
6316-32-14-tert-butyl-2-(1-phenylethyl)phenyl butanoateNSC225904-(2-Methyl-2-propanyl)-2-(1-phenylethyl)phenyl butyrateDTXSID80281714NSC-22590[2-(1-phenylethyl)-4-tert-butyl-phenyl] butanoateButanoic acid, 4-(1,1-dimethylethyl)-2-(1-phenylethyl)phenyl ester
Database identifiers
- CAS
6316-32-1- PubChem CID
- 229161
- DTXSID
DTXSID80281714
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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