3-(15-Hydroxyhexadecyl)-4-methylfuran-2,5-dione
Basic information
- CAS
62722-99-0- Standard SMILES
CC1=C(CCCCCCCCCCCCCCC(C)O)C(=O)OC1=O- InChIKey
LQHWACDOMXJHRQ-UHFFFAOYSA-N- Molecular formula
- C21H36O4
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.26135963
Names & identifiers
- Preferred name
- 3-(15-Hydroxyhexadecyl)-4-methylfuran-2,5-dione
- IUPAC
- 3-(15-hydroxyhexadecyl)-4-methylfuran-2,5-dione
Names & synonyms
3-(15-hydroxyhexadecyl)-4-methylfuran-2,5-dione62722-99-0DTXSID50319194RefChem:273280DTXCID50270317NSC341628FURANDIONE DERIV , (5347)NSC-341628DS-0044953-(15-Hydroxyhexadecyl)-4-methyl-furan-2,5-dione
Database identifiers
- CAS
62722-99-0- PubChem CID
- 334786
- DTXSID
DTXSID50319194- Nikkaji
- J2.289.072G
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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