Chemical ID: 5147706

CCC[N+]1(CCOCC1)C
Chemical ID:
5147706
Name [?]:
4-methyl-4-propyl-1-oxa-4-azoniacyclohexane
SMILES [?]:
CCC[N+]1(CCOCC1)C
InChi [?]:
InChI=1/C8H18NO/c1-3-4-9(2)5-7-10-8-6-9/h3-8H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,10,2,3,5,9,6,8,4,7/E:(5,6)(7,8)/CRV:9+1/rA:10nCCCN+CCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H18NO+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-22.2713
Area:302.243
Solvation:-29.8274
Coulombic:18.0106
Bond Count [?]
All:10
Single:10
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:144.235
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.83
LogP (Chemaxon):-3.95

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue