Chemical ID: 4953575

CC(C)(C)c1cc(c(c(c1)C2CCCCC2)O)CN(CCO)Cc3cc(cc(c3O)C4CCCCC4)C(C)(C)C
Chemical ID:
4953575
Name [?]:
2-cyclohexyl-6-[[(3-cyclohexyl-2-hydroxy-5-tert-butyl-phenyl)methyl-(2-hydroxyethyl)amino]methyl]-4-tert-butyl-phenol
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)C2CCCCC2)O)CN(CCO)Cc3cc(cc(c3O)C4CCCCC4)C(C)(C)C
InChi [?]:
InChI=1/C36H55NO3/c1-35(2,3)29-19-27(33(39)31(21-29)25-13-9-7-10-14-25)23-37(17-18-38)24-28-20-30(36(4,5)6)22-32(34(28)40)26-15-11-8-12-16-26/h19-22,25-26,38-40H,7-18,23-24H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,38,39,40,14,34,13,15,33,35,12,16,32,36,20,21,6,25,10,27,18,23,11,31,7,24,5,26,9,28,8,29,2,37,19,22,17,30/E:(1,2,3,4,5,6)(7,8)(9,10,11,12)(13,14,15,16)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(39,40)/rA:40cCCCCCCCCCCCCCCCCOCNCCOCCCCCCCOCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;s12;s13;s14;s11s15;s8;s7;s18;s19;s20;s21;s19;s23;s24;d25;s26;d27;d24s28;s29;s28;s31;s32;s33;s34;s31s35;s26;s37;s37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C36H55NO3
All Atoms:40
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:15.4702
Area:816.923
Solvation:-4.95288
Coulombic:-58.0344
Bond Count [?]
All:43
Single:37
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:549.827
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:8.4
LogP (Chemaxon):9.71

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