Chemical ID: 4289890

CC(C)(C)c1ccc(cc1)OCCOCCBr
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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