Chemical ID: 4910628

CC12CCCC3(C1CCC45C3CCC(C4)C(=C)C5O)C6N(C2)CCO6
Chemical ID:
4910628
Name [?]:
None
SMILES [?]:
CC12CCCC3(C1CCC45C3CCC(C4)C(=C)C5O)C6N(C2)CCO6
InChi [?]:
InChI=1/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3
InChi Info:
AuxInfo=1/0/N:17,1,4,13,12,8,3,5,9,23,24,15,22,16,14,7,11,18,20,2,10,6,21,19,25/rA:25cCCCCCCCCCCCCCCCCCCOCNCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s14;d16;s10s16;s18;s6;s20;s2s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H33NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:9
ZAP Information [?]
Total:21.7122
Area:0.0
Solvation:21.7122
Coulombic:0.0
Bond Count [?]
All:30
Single:29
Double:1
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:343.503
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.58

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