Basic information
- CAS
24448-06-4- Standard SMILES
CCCCCCCCC1=NC(CC)(CO)CO1- InChIKey
HYKRXSPZUWSKGW-UHFFFAOYSA-N- Molecular formula
- C14H27NO2
- Average molar mass
- 241.37 g/mol
- Monoisotopic mass
- 241.2041791
Names & identifiers
- Preferred name
- 4-Ethyl-2-octyl-2-oxazoline-4-methanol
- IUPAC
- (4-ethyl-2-octyl-5H-1,3-oxazol-4-yl)methanol
- English name
- 4-ethyl-2-octyl-2-oxazoline-4-methanol
- Molecular formula
- C14H27NO2
- Molecular weight
- 241.37
Names & synonyms
24448-06-4(4-ethyl-2-octyl-4,5-dihydrooxazol-4-yl)methanol4-Ethyl-2-octyl-2-oxazoline-4-methanolEINECS 246-260-0SCHEMBL10491909(4-Ethyl-2-octyl-4,5-dihydro-1,3-oxazol-4-yl)methanolDTXSID70947317HYKRXSPZUWSKGW-UHFFFAOYSA-NNS000498914-Ethyl-4,5-dihydro-2-octyl-4-oxazolemethanol4-Oxazolemethanol, 4-ethyl-4,5-dihydro-2-octyl-
Database identifiers
- CAS
24448-06-4- PubChem CID
- 91185
- DTXSID
DTXSID70947317- EC Number
- 246-260-0
- Nikkaji
- J287.254D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 333.1 · 333.1±15.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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