Basic information
- Standard SMILES
CCOC(=O)CC1(O)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)OCC)cc3)ccc21- InChIKey
XFOPKHFTGFAQES-UHFFFAOYSA-N- Molecular formula
- C27H30O5
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(7,8-dihydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-[5-(2-ethoxy-2-oxoethyl)-5-hydroxy-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoate
Names & synonyms
SCHEMBL7637191XFOPKHFTGFAQES-UHFFFAOYSA-NEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoateethyl 4-[(7,8-dihydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoate
Database identifiers
- PubChem CID
- 18314576
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 736
Related reactions
23 records
Linked notes
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