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Chemical ID: 4953575
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
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Experimental Annotations
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Descriptor Annotations
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