Chemical ID: 7528382

CCOC(=O)COc1ccc(cc1C(C)(C)C)C
Chemical ID:
7528382
Name [?]:
ethyl 2-(4-methyl-2-tert-butyl-phenoxy)acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1C(C)(C)C)C
InChi [?]:
InChI=1/C15H22O3/c1-6-17-14(16)10-18-13-8-7-11(2)9-12(13)15(3,4)5/h7-9H,6,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,18,15,16,17,2,10,9,12,6,11,13,8,4,14,5,3,7/E:(3,4,5)/rA:18nCCOCOCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s14;s14;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22O3
All Atoms:40
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.56075
Area:459.474
Solvation:-2.9261
Coulombic:-28.2219
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.11
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue