4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)ethynyl]-benzyl acetate
Basic information
- Standard SMILES
CC(=O)OCc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1- InChIKey
YWKSUBWEAKCUSQ-UHFFFAOYSA-N- Molecular formula
- C25H28O2
- Average molar mass
- 360.5 g/mol
Names & identifiers
- Preferred name
- 4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)ethynyl]-benzyl acetate
- IUPAC
- [4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]methyl acetate
Names & synonyms
SCHEMBL9485574YWKSUBWEAKCUSQ-UHFFFAOYSA-N4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)-ethynyl]-benzyl acetate4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphth-2-yl)ethynyl]-benzyl acetate
Database identifiers
- PubChem CID
- 19786965
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 594
Related reactions
4 records
Compound notes
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