C1CC2(CCC1C#N)OCCO2
CAS: 69947-09-7
Name: 1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILES: C1CC2(CCC1C#N)OCCO2

Molecular Processing

Molecular formula
C9H13NO2
Molecular weight
167.21
Exact mass
167.0946
XLogP
1.44
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
42.21

Supplementary Information

InChIKey: WZWQNWWFCHNJON-UHFFFAOYSA-N
Synonyms
1,4-dioxaspiro[4.5]decane-8-carbonitrile69947-09-71,4-Dioxaspiro(4.5)Decane-8-CarbonitrileDTXSID30455721RefChem:220785DTXCID20406540830-024-44-Cyanocyclohexanone Ethylene AcetalMFCD090378794-CYANOCYCLOHEXANONE CYCLIC ETHYLENE ACETAL8-Cyano-1,4-dioxaspiro[4.5]decane4-CYANOCYCLOHEXANONECYCLICETHYLENEACETAL1,4-Dioxa-spiro[4.5]decane-8-carbonitrileSCHEMBL439945WZWQNWWFCHNJON-UHFFFAOYSA-NAKOS015919976CS-W003580GS-4080PB43307AC-28798SY0064111,4-dioxaspiro[4,5]decane-8-carbonitrileDB-0742371,4-Dioxa-spiro[4,5]decane-8-carbonitrileEN300-41086F0780261 pound not4-Dioxaspiro[4.5]decane-8-carbonitrileZ415670686
View source →
Involved in 34 reactions→

Extended Search

Substructure Search→Similarity Search→