Basic information
- Standard SMILES
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC2(CCCCC2)O1- InChIKey
DZAACSDQUYYKHI-ZIAGYGMSSA-N- Molecular formula
- C17H27NO4
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.19400834
Names & identifiers
- Preferred name
- (+/-)-cis-1,1-Dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2acetate
- IUPAC
- tert-butyl 2-[(2R,4R)-2-(cyanomethyl)-1,5-dioxaspiro[5.5]undecan-4-yl]acetate
Names & synonyms
SCHEMBL14163180DZAACSDQUYYKHI-ZIAGYGMSSA-N(+/-)-cis-1,1-dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5 ]undecane-2-acetate(+/-)-cis-1,1-dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2-acetate(+/-)-cis-1,1-dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2acetate
Database identifiers
- PubChem CID
- 15045166
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
9 records
Compound notes
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