Basic information
- CAS
1323-47-3- Standard SMILES
CCCCCCCCCCCCCC/C=C/CC1=NC(C)(CO)CO1- InChIKey
IMDOZEUBLKJMFF-WUKNDPDISA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- 4-Oxazolinemethanol, 2-heptadecenyl-4-methyl-
- IUPAC
- [2-[(E)-heptadec-2-enyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
Names & synonyms
1323-47-3(2-(Heptadec-2-en-1-yl)-4-methyl-4,5-dihydrooxazol-4-yl)methanol4-Oxazolinemethanol, 2-heptadecenyl-4-methyl-4-Oxazolemethanol, (2-heptadecenyl)-4,5-dihydro-4-methyl-
Database identifiers
- CAS
1323-47-3- PubChem CID
- 6435898
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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