(+/-)-cis-1,1-Dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2acetate

HCID 15045166

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

Related reactions

9 records

Compound notes

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