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Chemical ID: 6919847
Chemical ID:
6919847
Name [?]:
2-[2-[3,4-bis(2-hydroxyethoxy)tetrahydrofuran-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl dodecanoate
SMILES [?]:
CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO
InChi [?]:
InChI=1/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,10,11,35,27,31,34,26,30,16,15,18,23,19,22,12,21,20,36,28,32,13,17,33,25,14,29,24/rA:36cCCCCCCCCCCCCOOCCOCCCCCCOOCCOOCCOOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s20s23;s22;s25;s26;s27;s21;s29;s30;s31;s19;s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H50O10 |
All Atoms: | 86 |
Heavy Atoms: | 36 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.85206 |
Area: | 913.031 |
Solvation: | -13.9737 |
Coulombic: | -108.697 |
Bond Count [?]
All: | 36 |
Single: | 35 |
Double: | 1 |
Rotors: | 26 |
Chiral: | 0 |
Rigid Segments: | 16 |
Chemical Properties
Molecular Weight: | 522.669 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 10 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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