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Chemical ID: 5581626
Chemical ID:
5581626
Name [?]:
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILES [?]:
CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi [?]:
InChI=1/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,11,15,12,14,42,41,39,38,36,35,33,32,30,29,27,26,24,23,21,20,18,17,10,13,43,40,37,34,31,28,25,22,19,16/E:(10,11)(12,13)/rA:43nCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s37;s38;s39;s40;s41;s42;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H60O10 |
All Atoms: | 43 |
Heavy Atoms: | 43 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1729 |
Area: | 1125.27 |
Solvation: | -19.9589 |
Coulombic: | -83.8224 |
Bond Count [?]
All: | 43 |
Single: | 40 |
Double: | 3 |
Rotors: | 35 |
Chiral: | 0 |
Rigid Segments: | 19 |
Chemical Properties
Molecular Weight: | 616.823 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 10 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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