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Chemical ID: 4285927
Chemical ID:
4285927
Name [?]:
6-phenoxyhexoxybenzene
SMILES [?]:
c1ccc(cc1)OCCCCCCOc2ccccc2
InChi [?]:
InChI=1/C18H22O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
InChi Info:
AuxInfo=1/0/N:10,11,1,18,2,6,17,19,9,12,3,5,16,20,8,13,4,15,7,14/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCOCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69946 |
Area: | 523.215 |
Solvation: | -3.38092 |
Coulombic: | -18.5459 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 270.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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