4,4'-Diethyl-5,5'-dipropyl-(3,3')biisoxazolyl
Basic information
- CAS
502181-47-7- Standard SMILES
CCCc1onc(-c2noc(CCC)c2CC)c1CC- InChIKey
YEGFSXQYCADWRN-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- 4,4'-Diethyl-5,5'-dipropyl-(3,3')biisoxazolyl
- IUPAC
- 4-ethyl-3-(4-ethyl-5-propyl-1,2-oxazol-3-yl)-5-propyl-1,2-oxazole
- English name
- 4,4'-Diethyl-5,5'-dipropyl-(3,3')biisoxazolyl
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
NSC371698AKOS024326858NSC-3716984,4'-DIETHYL-5,5'-DIPROPYL-(3,3')BIISOXAZOLYL3,3′-Biisoxazole, 4,4′-diethyl-5,5′-dipropyl-
Database identifiers
- CAS
502181-47-7- PubChem CID
- 340677
- EC Number
- 140-557-8
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 407.84 · 407.840±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.262 · -4.262±0.50(predicted)
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Compound notes
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