3-Methyl-4-(15-oxohexadecyl)furan-2,5-dione
Basic information
- CAS
71595-42-1- Standard SMILES
CC(=O)CCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O- InChIKey
YXCSMIXCRWMTEC-UHFFFAOYSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Names & identifiers
- Preferred name
- 3-Methyl-4-(15-oxohexadecyl)furan-2,5-dione
- IUPAC
- 3-methyl-4-(15-oxohexadecyl)furan-2,5-dione
Names & synonyms
3-methyl-4-(15-oxohexadecyl)furan-2,5-dione71595-42-1DTXSID90319193RefChem:280871DTXCID90270316NSC341627FURANDIONE DERIV , (5346)NSC-341627DS-014281
Database identifiers
- CAS
71595-42-1- PubChem CID
- 334785
- DTXSID
DTXSID90319193- Nikkaji
- J2.289.071I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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