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Chemical ID: 6541214
Chemical ID:
6541214
Name [?]:
None
SMILES [?]:
C1CCC2C(C1)OCCOCCOC3CCCCC3OCCOCCO2
InChi [?]:
InChI=1/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,3,15,18,9,24,11,22,8,25,12,21,5,4,14,19,10,23,7,26,13,20/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22)(23,24,25,26)/rA:26cCCCCCCOCCOCCOCCCCCCOCCOCCO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s19;s20;s21;s22;s23;s24;s4s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H36O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 3.78987 |
Area: | 552.669 |
Solvation: | -10.0268 |
Coulombic: | -47.0867 |
Bond Count [?]
All: | 28 |
Single: | 28 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 372.496 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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