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Chemical ID: 3965380
Chemical ID:
3965380
Name [?]:
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
SMILES [?]:
Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C
InChi [?]:
InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChi Info:
AuxInfo=1/0/N:29,30,24,19,1,31,9,14,26,21,16,27,25,22,20,17,10,15,11,28,23,18,2,3,6,5,7,4,12,8,13/E:(1,2)/rA:31cCCCCCCCOCCCCOCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s11;s4s12;s12;s12;s15;s16;s17;s18;s18;s20;s21;s22;s23;s23;s25;s26;s27;s28;s28;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H50O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 16.4559 |
Area: | 745.055 |
Solvation: | -2.17043 |
Coulombic: | -28.5269 |
Bond Count [?]
All: | 32 |
Single: | 29 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.706 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 9.95 |
LogP (Chemaxon): | 9.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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