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Chemical ID: 5637837
Chemical ID:
5637837
Name [?]:
ethyl 2-(4-tert-butylphenoxy)acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C14H20O3/c1-5-16-13(15)10-17-12-8-6-11(7-9-12)14(2,3)4/h6-9H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,2,10,12,9,13,6,11,8,4,14,5,3,7/E:(2,3,4)(6,7)(8,9)/rA:17nCCOCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.104 |
Area: | 450.134 |
Solvation: | -3.14935 |
Coulombic: | -28.2395 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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