Chemical ID: 6919847

CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO
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

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Experimental Annotations

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Descriptor Annotations

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