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Chemical ID: 5577127
Chemical ID:
5577127
Name [?]:
1-(4-decoxyphenoxy)decane
SMILES [?]:
CCCCCCCCCCOc1ccc(cc1)OCCCCCCCCCC
InChi [?]:
InChI=1/C26H46O2/c1-3-5-7-9-11-13-15-17-23-27-25-19-21-26(22-20-25)28-24-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,4,25,5,24,6,23,7,22,8,21,9,20,13,17,14,16,10,19,12,15,11,18/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)/rA:28nCCCCCCCCCCOCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H46O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.4809 |
Area: | 775.769 |
Solvation: | -2.91334 |
Coulombic: | -20.5374 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 20 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 390.642 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 9.9 |
LogP (Chemaxon): | 8.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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