4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)ethynyl]-benzaldehyde
Basic information
- Standard SMILES
CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C=O)cc3)ccc21- InChIKey
NGVGDRAPDBRWSC-UHFFFAOYSA-N- Molecular formula
- C23H24O
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- 4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)ethynyl]-benzaldehyde
- IUPAC
- 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzaldehyde
Names & synonyms
SCHEMBL9484730NGVGDRAPDBRWSC-UHFFFAOYSA-N4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-ethynyl]-benzaldehyde4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)ethynyl]-benzaldehyde
Database identifiers
- PubChem CID
- 19786963
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 521
Related reactions
5 records
Compound notes
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