Basic information
- CAS
5454-46-6- Standard SMILES
CCCC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1- InChIKey
FZDWCIFEPCLFTI-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- 4-(2,4,4-Trimethylpentan-2-yl)phenyl butanoate
- IUPAC
- [4-(2,4,4-trimethylpentan-2-yl)phenyl] butanoate
- English name
- [4-(2,4,4-trimethylpentan-2-yl)phenyl] butanoate
- Molecular formula
- C18H28O2
- Molecular weight
- 276.41
Names & synonyms
5454-46-64-(2,4,4-trimethylpentan-2-yl)phenyl butanoateNSC23072Butanoic acid,4-(1,1,3,3-tetramethylbutyl)phenyl esterDTXSID40281795NSC-230724-(1,1,3,3-Tetramethylbutyl)phenyl butanoate[4-(2,4,4-trimethylpentan-2-yl)phenyl] butanoateButanoic acid, 4-(1,1,3,3-tetramethylbutyl)phenyl ester
Database identifiers
- CAS
5454-46-6- PubChem CID
- 229396
- DTXSID
DTXSID40281795
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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