4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile
Basic information
- CAS
364626-69-7- Standard SMILES
Cc1cc2c(cc1C(=O)c1ccc(C#N)cc1)C(C)(C)C=CC2(C)C- InChIKey
OXQPRRWVFKFQNO-UHFFFAOYSA-N- Molecular formula
- C23H23NO
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.17796436
Names & identifiers
- Preferred name
- 4-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile
- IUPAC
- 4-(3,5,5,8,8-pentamethylnaphthalene-2-carbonyl)benzonitrile
Names & synonyms
SCHEMBL14782141OXQPRRWVFKFQNO-UHFFFAOYSA-NDTXSID5011453054-[(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile364626-69-74-(3,5,5,8,8-Pentamethyl-5,8-dihydronaphthalene-2-carbonyl)benzonitrile4-[(5,8-Dihydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzonitrile
Database identifiers
- CAS
364626-69-7- PubChem CID
- 11809652
- DTXSID
DTXSID501145305
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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