Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC(O)c1ccc2c(c1)COC(C)(C)O2- InChIKey
XBKHRWZUBFHWJU-UHFFFAOYSA-N- Molecular formula
- C17H25NO5
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.1732729
Names & identifiers
- Preferred name
- tert-Butyl 2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbamate
- IUPAC
- tert-butyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxyethyl]carbamate
Names & synonyms
tert-Butyl 2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbamate452340-95-3tert-butyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxyethyl]carbamatetert-Butyl (2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethyl)carbamateSCHEMBL13510949XBKHRWZUBFHWJU-UHFFFAOYSA-NDB-361594CS-0009265H51402tert-butyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxy-ethyl]carbamate
Database identifiers
- PubChem CID
- 21895584
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Related reactions
2 records
Compound notes
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