Chemical ID: 3965380

Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C
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

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Descriptor Annotations

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