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Chemical ID: 3965381
Chemical ID:
3965381
Name [?]:
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] acetate
SMILES [?]:
Cc1c(c(c(c2c1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C
InChi [?]:
InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
InChi Info:
AuxInfo=1/0/N:27,28,22,17,34,1,29,33,12,24,19,14,25,23,20,18,15,11,13,10,26,21,16,3,2,5,31,6,4,7,9,32,30,8/E:(1,2)/rA:34cCCCCCCCOCCCCCCCCCCCCCCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s6s10;s9;s9;s13;s14;s15;s16;s16;s18;s19;s20;s21;s21;s23;s24;s25;s26;s26;s5;s4;s30;d31;s31;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H52O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 17.2965 |
Area: | 796.293 |
Solvation: | -2.61079 |
Coulombic: | -29.3558 |
Bond Count [?]
All: | 35 |
Single: | 31 |
Double: | 4 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 472.743 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 10.14 |
LogP (Chemaxon): | 9.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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