Chemical ID: 5637837

CCOC(=O)COc1ccc(cc1)C(C)(C)C
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

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Descriptor Annotations

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