Chemical ID: 5840416

CCCCOc1ccc(cc1)OCCCC
Chemical ID:
5840416
Name [?]:
1,4-dibutoxybenzene
SMILES [?]:
CCCCOc1ccc(cc1)OCCCC
InChi [?]:
InChI=1/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,3,14,7,11,8,10,4,13,6,9,5,12/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)/rA:16nCCCCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.54834
Area:455.395
Solvation:-2.83654
Coulombic:-16.8926
Bond Count [?]
All:16
Single:13
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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