Basic information
- Standard SMILES
CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)cc1C12CC3CC(CC(C3)C1)C2- InChIKey
PQBDMOAXTIEGDG-UHFFFAOYSA-N- Molecular formula
- C23H34O3Si
- Average molar mass
- 386.6 g/mol
- Monoisotopic mass
- 386.22772148
Names & identifiers
- Preferred name
- 3-Adamantan-1-yl-4-(tert-butyl-dimethyl-silanyloxy)-benzoic acid
- IUPAC
- 3-(1-adamantyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
Names & synonyms
SCHEMBL8458638SCHEMBL8461452PQBDMOAXTIEGDG-UHFFFAOYSA-N3-adamantan-1-yl-4-(tert-butyl-dimethyl-silanyloxy)-benzoic acid
Database identifiers
- PubChem CID
- 13633559
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 550
Related reactions
3 records
Compound notes
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