2-Undecyl-2-oxazoline-4,4-dimethanol
Basic information
- CAS
24448-01-9- Standard SMILES
CCCCCCCCCCCC1=NC(CO)(CO)CO1- InChIKey
XMQGZCSSTZWPTO-UHFFFAOYSA-N- Molecular formula
- C16H31NO3
- Average molar mass
- 285.42 g/mol
- Monoisotopic mass
- 285.23039385
Names & identifiers
- Preferred name
- 2-Undecyl-2-oxazoline-4,4-dimethanol
- IUPAC
- [4-(hydroxymethyl)-2-undecyl-5H-1,3-oxazol-4-yl]methanol
- English name
- 2-undecyl-2-oxazoline-4,4-dimethanol
- Molecular formula
- C16H31NO3
- Molecular weight
- 285.42
Names & synonyms
2-Undecyl-2-oxazoline-4,4-dimethanol24448-01-9EINECS 246-257-44,4(5H)-Oxazoledimethanol, 2-undecyl-NSC177354,4(5H)-Oxazoledimethanol,2-undecyl-AI3-28066SCHEMBL9617221DTXSID80179208XMQGZCSSTZWPTO-UHFFFAOYSA-NNSC 17735NSC-17735
Show more names
4,5-Dihydro-2-undecyl-4,4-oxazoledimethanol
DS-014595NS00027663(2-undecyl-4,5-dihydro-1,3-oxazole-4,4-diyl)dimethanol
Database identifiers
- CAS
24448-01-9- PubChem CID
- 90506
- DTXSID
DTXSID80179208- EC Number
- 246-257-4
- Nikkaji
- J287.252H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 408.8 · 408.8±10.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 13.92 · 13.92±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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