16-(4-Methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)hexadecan-2-yl acetate
Basic information
- CAS
62722-98-9- Standard SMILES
CC(=O)OC(C)CCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O- InChIKey
BYWBPIURBJYJMO-UHFFFAOYSA-N- Molecular formula
- C23H38O5
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.27192431
Names & identifiers
- Preferred name
- 16-(4-Methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)hexadecan-2-yl acetate
- IUPAC
- 16-(4-methyl-2,5-dioxofuran-3-yl)hexadecan-2-yl acetate
Names & synonyms
62722-98-9DTXSID1031919516-(4-Methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)hexadecan-2-yl acetateRefChem:236636DTXCID10270318NSC341629FURANDIONE DERIV , (5417)NSC-341629
Database identifiers
- CAS
62722-98-9- PubChem CID
- 334787
- DTXSID
DTXSID10319195- Nikkaji
- J2.289.073E
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
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Related reactions
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Compound notes
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