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Chemical ID: 6684869
Chemical ID:
6684869
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCC2C(C1)OCCOCCOC3CC(CCC3OCCOCCO2)C(C)(C)C
InChi [?]:
InChI=1/C28H52O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h21-26H,7-20H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,32,33,34,6,21,7,22,28,26,13,15,29,25,12,16,10,19,5,20,8,23,9,18,2,31,27,14,30,24,11,17/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)(27,28)(31,32)(33,34)/rA:34cCCCCCCCCCCOCCOCCOCCCCCCOCCOCCOCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s23;s24;s25;s26;s27;s28;s8s29;s20;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H52O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 7.69935 |
Area: | 693.968 |
Solvation: | -9.64985 |
Coulombic: | -50.011 |
Bond Count [?]
All: | 36 |
Single: | 36 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 484.709 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.83 |
LogP (Chemaxon): | 4.51 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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