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Chemical ID: 4289890
Chemical ID:
4289890
Name [?]:
1-[2-(2-bromoethoxy)ethoxy]-4-tert-butyl-benzene
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCCOCCBr
InChi [?]:
InChI=1/C14H21BrO2/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,10,7,9,16,15,13,12,5,8,2,17,14,11/E:(1,2,3)(4,5)(6,7)/rA:17nCCCCCCCCCCOCCOCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21BrO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55044 |
Area: | 469.273 |
Solvation: | -4.18138 |
Coulombic: | -16.5387 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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