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Chemical ID: 5614170
Chemical ID:
5614170
Name [?]:
1-[4-(p-tolyl)phenoxy]heptane
SMILES [?]:
CCCCCCCOc1ccc(cc1)c2ccc(cc2)C
InChi [?]:
InChI=1/C20H26O/c1-3-4-5-6-7-16-21-20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h8-15H,3-7,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,4,5,6,17,19,16,20,11,13,10,14,7,18,15,12,9,8/E:(8,9)(10,11)(12,13)(14,15)/rA:21nCCCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5253 |
Area: | 545.085 |
Solvation: | -2.10182 |
Coulombic: | -11.8019 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 282.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.37 |
LogP (Chemaxon): | 6.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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