4-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-benzonitrile

HCID 18445299
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)COC2(CCC(Oc3ccc(C#N)cc3)CC2)OC1
InChIKey
UGRQKKNGGWPAMY-UHFFFAOYSA-N
Molecular formula
C18H23NO3
Average molar mass
301.4 g/mol

Names & identifiers

Preferred name
4-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-benzonitrile
IUPAC
4-[(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]benzonitrile

Names & synonyms

SCHEMBL5527463UGRQKKNGGWPAMY-UHFFFAOYSA-N4-(3,3-Dimethyl-1,5-dioxa-spiro[5.5]undec-9-yloxy)-benzonitrile

Database identifiers

PubChem CID
18445299

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
51.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

Loading…