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Chemical ID: 5840416
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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