6-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-nicotinonitrile

HCID 18445307
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Basic information

Standard SMILES
CC1(C)COC2(CCC(Oc3ccc(C#N)cn3)CC2)OC1
InChIKey
WVACVXCXKOMMDZ-UHFFFAOYSA-N
Molecular formula
C17H22N2O3
Average molar mass
302.37 g/mol
Monoisotopic mass
302.16304257

Names & identifiers

Preferred name
6-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-nicotinonitrile
IUPAC
6-[(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]pyridine-3-carbonitrile

Names & synonyms

SCHEMBL5519043WVACVXCXKOMMDZ-UHFFFAOYSA-N6-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-nicotinonitrile

Database identifiers

PubChem CID
18445307

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
64.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
22

Related reactions

4 records
New reaction record

Compound notes

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