Chemical ID: 5006572

CCOC(=O)C(C#N)C1CCCCC1
Chemical ID:
5006572
Name [?]:
ethyl 2-cyclohexyl-3-nitrido-propanoate
SMILES [?]:
CCOC(=O)C(C#N)C1CCCCC1
InChi [?]:
InChI=1/C11H17NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,10,14,7,9,6,4,8,5,3/E:(4,5)(6,7)/rA:14cCCOCOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;t7;s6;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.70255
Area:384.481
Solvation:-1.90947
Coulombic:-21.968
Bond Count [?]
All:14
Single:12
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.258
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):2.38

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