Chemical ID: 3965381

Cc1c(c(c(c2c1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C
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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