Chemical ID: 5238674

CC1CC(N1C2CCCCC2)C(=O)OC
Chemical ID:
5238674
Name [?]:
methyl 1-cyclohexyl-4-methyl-azetidine-2-carboxylate
SMILES [?]:
CC1CC(N1C2CCCCC2)C(=O)OC
InChi [?]:
InChI=1/C12H21NO2/c1-9-8-11(12(14)15-2)13(9)10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,9,8,10,7,11,3,2,6,4,12,5,13,14/E:(4,5)(6,7)/rA:15cCCCCNCCCCCCCOOC/rB:s1;s2;s3;s2s4;s5;s6;s7;s8;s9;s6s10;s4;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:21.7767
Area:2.60183
Solvation:21.7117
Coulombic:0.0
Bond Count [?]
All:16
Single:15
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.301
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):1.8

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