2-Isopropyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Basic information
- CAS
34575-25-2- Standard SMILES
CC(C)C1=NC(C)(C)CO1- InChIKey
MWZIWAHRZFZLPI-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 2-Isopropyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- IUPAC
- 4,4-dimethyl-2-propan-2-yl-5H-1,3-oxazole
- English name
- 2-Isopropyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
34575-25-22-isopropyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole4,4-dimethyl-2-propan-2-yl-5H-1,3-oxazole2-isopropyl-4,4-dimethyl-5H-oxazole2-isopropyl-4,4-dimethyl-4,5-dihydrooxazole4,4-dimethyl-2-(propan-2-yl)-4,5-dihydro-1,3-oxazoleNSC151008SCHEMBL10696053SCHEMBL27968181MWZIWAHRZFZLPI-UHFFFAOYSA-DTXSID90302449AKOS006278391
Show more names
2-isopropyl-4,4-dimethyl-2-oxazolineOxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methylethyl)-
NSC-151008DB-069033F095480InChI=1/C8H15NO/c1-6(2)7-9-8(3,4)5-10-7/h6H,5H2,1-4H3
Database identifiers
- CAS
34575-25-2- PubChem CID
- 289302
- DTXSID
DTXSID90302449- Nikkaji
- J1.804.055G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 56 °C · 56 °C(Press: 35 Torr)
- Density
- 0.8797 g/cm3 · 0.8797 g/cm3
- pka
- 5.78 · 5.78±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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