5-(4-Tert-butylphenyl)oxolan-2-one
Basic information
- CAS
105314-78-1- Standard SMILES
CC(C)(C)c1ccc(C2CCC(=O)O2)cc1- InChIKey
UJTJBPVHZHQZTL-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 5-(4-Tert-butylphenyl)oxolan-2-one
- IUPAC
- 5-(4-tert-butylphenyl)oxolan-2-one
Names & synonyms
5-(4-tert-butylphenyl)oxolan-2-oneNSC67364SCHEMBL106919345-[4-(1,1-Dimethylethyl)phenyl]dihydro-2(3H)-furanoneDTXSID501213481NSC-67364105314-78-1
Database identifiers
- CAS
105314-78-1- PubChem CID
- 249272
- DTXSID
DTXSID501213481- Nikkaji
- J3.396.200B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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