3-tetradecyl-3H-isobenzofuran-1-one
Basic information
- Standard SMILES
CCCCCCCCCCCCCCC1OC(=O)c2ccccc21- InChIKey
GYPWGKRSJWXUSK-UHFFFAOYSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.25588032
Names & identifiers
- Preferred name
- 3-tetradecyl-3H-isobenzofuran-1-one
- IUPAC
- 3-tetradecyl-3H-2-benzofuran-1-one
Names & synonyms
NSC6273813-Tetradecyl-2-isobenzofuran-1(3H)-oneSCHEMBL7872290CHEMBL19710743-tetradecyl-3H-isobenzofuran-1-oneNSC-627381NCI60_008702
Database identifiers
- PubChem CID
- 362906
- ChEMBL
CHEMBL1971074
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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