5-tert-Butoxycarbonylamino-5-{2-[4-(5-hydroxyl-1-pentyl)phenyl]ethyl}-2,2-dimethyl-1,3-dioxane
Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(CCc2ccc(CCCCCO)cc2)COC(C)(C)OC1- InChIKey
VWTBZYUHABMCHB-UHFFFAOYSA-N- Molecular formula
- C24H39NO5
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.28282334
Names & identifiers
- Preferred name
- 5-tert-Butoxycarbonylamino-5-{2-[4-(5-hydroxyl-1-pentyl)phenyl]ethyl}-2,2-dimethyl-1,3-dioxane
- IUPAC
- tert-butyl N-[5-[2-[4-(5-hydroxypentyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
Names & synonyms
SCHEMBL1603291VWTBZYUHABMCHB-UHFFFAOYSA-N5-tert-Butoxycarbonylamino-5-{2-[4-(5-hydroxyl-1-pentyl)phenyl]ethyl}-2,2-dimethyl-1,3-dioxane
Database identifiers
- PubChem CID
- 23655367
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 510
Related reactions
3 records
Compound notes
Loading…