Basic information
- Standard SMILES
CC1(C)CCC(=O)c2ccc(C#Cc3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc21- InChIKey
VVBNXYSPTKYUKA-UHFFFAOYSA-N- Molecular formula
- C26H30O3Si
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.19642135
Names & identifiers
- Preferred name
- (Trimethylsilyl)ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
- IUPAC
- 2-trimethylsilylethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
Names & synonyms
SCHEMBL7640560VVBNXYSPTKYUKA-UHFFFAOYSA-NTrimethylsilylethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate(Trimethylsilyl)ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
Database identifiers
- PubChem CID
- 54412444
Properties
Computed structural properties
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 697
Related reactions
15 records
Linked notes
Loading…