Basic information
- Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C(C)(C)C)=CCC3(C)C)cc1- InChIKey
ZCKKDUJQQZWYPG-UHFFFAOYSA-N- Molecular formula
- C27H30O2
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(7,8-dihydro-8,8-dimethyl-5-(1,1-dimethylethyl)naphth-3-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate
Names & synonyms
SCHEMBL7639304ZCKKDUJQQZWYPG-UHFFFAOYSA-NEthyl 4-[(7,8-dihydro-8,8-dimethyl-5-(1,1-dimethylethyl)naphth-3-yl)ethynyl]benzoate
Database identifiers
- PubChem CID
- 18314564
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 685
Related reactions
20 records
Compound notes
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