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Chemical ID: 4088427
Chemical ID:
4088427
Name [?]:
1-benzyloxy-4-[2-[2-[2-(4-benzyloxyphenoxy)ethoxy]ethoxy]ethoxy]benzene
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)OCCOCCOCCOc3ccc(cc3)OCc4ccccc4
InChi [?]:
InChI=1/C32H34O6/c1-3-7-27(8-4-1)25-37-31-15-11-29(12-16-31)35-23-21-33-19-20-34-22-24-36-30-13-17-32(18-14-30)38-26-28-9-5-2-6-10-28/h1-18H,19-26H2
InChi Info:
AuxInfo=1/0/N:1,36,2,6,35,37,3,5,34,38,11,13,26,30,10,14,27,29,19,20,17,22,16,23,7,32,4,33,12,25,9,28,18,21,15,24,8,31/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)(29,30)(31,32)(33,34)(35,36)(37,38)/rA:38nCCCCCCCOCCCCCCOCCOCCOCCOCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H34O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4167 |
Area: | 860.646 |
Solvation: | -11.0994 |
Coulombic: | -47.6268 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 514.609 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.53 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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